CN104237493A - Method for classifying and identifying endogenous metabolites by pyramid screening method - Google Patents
Method for classifying and identifying endogenous metabolites by pyramid screening method Download PDFInfo
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- CN104237493A CN104237493A CN201410329539.1A CN201410329539A CN104237493A CN 104237493 A CN104237493 A CN 104237493A CN 201410329539 A CN201410329539 A CN 201410329539A CN 104237493 A CN104237493 A CN 104237493A
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Abstract
The invention discloses a method for classifying and identifying endogenous metabolites by a pyramid screening method. The method comprises the steps of importing the chromatographic peak data extracted by Masslynx software into an Excel form; finding the condition that a parent ion is in accordance with (M+H)<+>, (M+Na)<+>, (M+K)<+> or (M+H+Na)<+> in a positive ion mode according to the collision and splitting decomposition processes of different energies; finding the condition that the parent ion is in accordance with (M-H)<-> or (M-HAC)<-> in a negative ion mode, and merging fragment ions; classifying and screening different types of target compounds on a great deal of biological sample data by the pyramid screening method; and inquiring and verifying by databases such as HMDB and KEGG to further determine the information such as the structure of the target compound. The method has important guiding significance for classification, identification, discovery and separation of compounds in the fields such as lipidomics, petrochemical engineering and analysis of traditional Chinese medicine.
Description
Technical field
The invention belongs to the Data Post technical field of biological specimen, relate to the screening of endogenous material in body and the process process skill of discriminating, is that a kind of pyramid screening technique that adopts carries out the method for classification and identification to endogenous metabolites in particular.
Background technology
Nowadays, along with the development of Data Post technology, mass defect filters (Mass defect filtering, MDF), debris filter (Diagnostic fragments filtering is diagnosed, DFF) filter with neutral loss the advantage that (Neutral loss filtering, NLF) demonstrates uniqueness in the screening and discriminating of material.Mass defect filters the difference referred between the exact mass number of compound molecule and its immediate round values, the general feature according to same class compound with identical mother nucleus structure, by a certain mass defect scope, thus screen and identify certain compounds.At present, mass defect filtering technique has been applied in and has detected and characterising biological matrix metabolism thing, drug design, the aspect such as imaging of species analysis and lipid species in Chinese herbal medicine, but it has no report in metabolism group field.Due to endogenous material complicated component in body, although can distinguish different classes of material, there is the overlapped phenomenon with intersecting in the mass defect scope of different classes of material, therefore can not classify accurately to it.Simultaneously we notice, although in body, endogenous material is of a great variety, chemical composition is complicated, other material of same class has similar or identical mother nucleus structure, there is identical fracture behaviour in the process causing allied substances to be induced at MS/MS collision.Thus diagnosis debris filter is lost filtration with neutrality and is applied in screening substances and qualification process.Diagnosis fragment refers to the fragments characteristic ion that similar compound all can be formed in mass spectrometry fragmentation process, therefore diagnoses the method for fragment to may be used for the screening of different classes of material and known classification with unknown compound and qualification.Neutral loss refers to quality difference (m) between first mass spectrometric (MS1) and second order ms (MS2), utilizes quality difference can carry out broad classification to the material with a certain category feature substituted radical.But find that different classes of compound exists and share a diagnosis fragment or neutral situation of losing, cause easily occurring in screening substances process obscuring, false-positive result increases.The abundance difference of inducing parent ion and the fragmention produced due to different collision energy is comparatively large, if a certain particular crash of independent research can under material cracking rule may cause the loss of patch information, and cause false positive results.Xu Guowang etc. utilize the fragment under different collision energy cracking to analyze chronic hepatitis B in conjunction with HPLC-MS, compensate for the information dropout under single collision energy.Therefore, for the screening of endogenous material in the body of complexity and the process of discriminating, need a data post processing method fast and accurately badly.
Summary of the invention
The present invention accurately can extract multiclass material from complex biological sample, and this classification to endogenous metabolin, qualification and quick discovery potential source biomolecule label have great importance.The present invention to some extent solves the crucial problem in metabolism group---and the classification of metabolin and discriminating, this will be conducive to further developing of metabolism group.
For achieving the above object, the invention discloses following technology contents:
Adopt pyramid screening technique to carry out a method for classification and identification to endogenous metabolites, it is characterized in that being undertaken by following step:
(1) by the chromatographic peak data importing Excel form that extracted by Masslynx software;
(2) according to the process of different-energy Collision-induced dissociation, in the positive-ion mode, search parent ion will meet [M+H]
+, [M+Na]
+, [M+K]
+or [M+H+Na]
+condition; In the negative ion mode, search parent ion will meet [M-H]
-or [M-HAC]
-condition, fragmention is merged;
(3) utilize pyramid screening technique, a large amount of biological specimen datas carried out to classification and the screening of different classes of target compound:
(4) through data base querying checkings such as HMDB and KEGG, the information such as target compound structure are confirmed further; Wherein said pyramid screening technique refers to:
1) when compound molecule quality and mass defect value are respectively in 60.0-204.1 and-0.0046-0.1150 scope, then this type of material belongs to I class material, subsequently the fragment ion under different-energy collision-induced is screened further, under positive ion mode, if lose NH
3losing fragment with the neutrality of HCOOH, is then amino acid; If lose NH
3neutrality lose fragment, be then base or monoamine neurotransmitter; Under negative ion mode, if lose CO
2neutrality lose fragment, be then organic acid;
2) when compound molecule quality and mass defect value are respectively within the scope of 227.0-364.3 and 0.0695-0.240, then this type of material belongs to II class material, i.e. nucleosides and steroid hormone; In the positive-ion mode, if containing m/z 97.06 [C
6h
9o]
+with m/z 109.06 [C
7h
9o]
+diagnosis fragment and corresponding 0.0643-0.0662 and 0.0642-0.0663 Da diagnosis chip mass loss scope time, be then steroid hormone; In the negative ion mode, if containing m/z 145.06 [C
10h
9o]
-diagnosis fragment and 0.0638-0.0667 Da diagnosis chip mass loss scope, be then estrogen; Under positive ion mode, if lose C5H8O3 and C5H8O4 neutrality to lose fragment, be then nucleosides;
3) when compound molecule quality and mass defect value are respectively within the scope of 412.2-607.5 and 0.2385-0.4576, then this type of material belongs to III class material, i.e. LPEs and LPCs; Under positive ion mode, if containing m/z 184.07 [C
5h
15nO
4p]
+diagnosis fragment and 0.0720-0.0757 Da diagnosis chip mass loss scope, be then LPCs; If lose (C
2h
8nO
4p) neutrality loses fragment, be then LPEs;
4) when compound molecule quality and mass defect value are respectively within the scope of 635.4-915.8 and 0.4369-0.8125, then this type of material belongs to IV class material, i.e. PCs/PEs/PSs/PIs/PAs/PGs material; Under positive ion mode, if containing m/z 184.07 [C
5h
15nO
4p]
+diagnosis fragment and 0.0720-0.0757 Da diagnosis chip mass loss scope, be then PCs; If lose (C
2h
8nO
4p) neutrality loses fragment, be then PEs; Under negative ion mode, if containing m/z 241.01 [C
6h
10pO
8]
-diagnosis fragment and the diagnosis chip mass defective value scope of 0.0088-0.0137 Da, be then PIs; If containing m/z 152.99 [C
3h
6pO
5]
-diagnosis fragment and 0.9937-0.9968Da diagnosis chip mass loss scope, be then PAs/PGs; If lose (C
3h
5nO
2) neutrality lose fragment, being then PSs, finally to the different classes of compound filtered out, carrying out the inquiry of HMDB database, to filtering out targeted fast and accurately.
The more detailed step of the present invention is as follows:
1, by the chromatographic peak data importing Excel form that extracted by Masslynx software.
2, according to the process of different-energy Collision-induced dissociation, parent ion is with the rising gradually of collision energy in mass spectrum, and response reduces gradually, but fragmention is without this feature, so can extract the information of parent ion and fragmention respectively simultaneously.Under positive ion mode, search parent ion and will meet [M+H]
+, [M+Na]
+, [M+K]
+or [M+H+Na]
+condition; Under negative ion mode, search parent ion and will meet [M-H]
-or [M-HAC]
-condition, simultaneously different fragmention may derive from same compound, needs to merge fragmention.
3, utilize pyramid screening technique, a large amount of biological specimen datas is carried out to classification and the screening of different classes of target compound.
1) when compound molecule quality and mass defect value are respectively in (60.0-204.1) and (-0.0046-0.1150) scope, then this type of material belongs to I class material, i.e. amino acid, organic acid, monose, monoamine neurotransmitter, base.Subsequently, the fragment ion under different-energy collision-induced is screened further.Under positive ion mode, if lose NH
3losing fragment with the neutrality of HCOOH, is then amino acid; If lose NH
3neutrality lose fragment, be then base or monoamine neurotransmitter; Under negative ion mode, if lose CO
2neutrality lose fragment, be then organic acid.
2) when compound molecule quality and mass defect value are respectively in (227.0-364.3) and (0.0695-0.240) scope, then this type of material belongs to II class material, i.e. nucleosides and steroid hormone.Under positive ion mode, if containing m/z 97.06 [C
6h
9o]
+with m/z 109.06 [C
7h
9o]
+diagnosis fragment and the diagnosis chip mass of corresponding (0.0643-0.0662) and (0.0642-0.0663) Da when losing scope, be then androgen, progestational hormone, glucocorticoid and mineralocorticoid; In the negative ion mode, if containing m/z 145.06 [C
10h
9o]
-diagnosis fragment and (0.0638-0.0667) Da diagnosis chip mass loss scope, be then estrogen; Under positive ion mode, if lose (C5H8O3) and (C5H8O4) neutrality to lose fragment, be then nucleosides.
3) when compound molecule quality and mass defect value are respectively in (412.2-607.5) and (0.2385-0.4576) scope, then this type of material belongs to III class material, i.e. LPEs and LPCs.Under positive ion mode, if containing m/z 184.07 [C
5h
15nO
4p]
+diagnosis fragment and (0.0720-0.0757) Da diagnosis chip mass loss scope, be then LPCs; If lose (C
2h
8nO
4p) neutrality loses fragment, be then LPEs.
4) when compound molecule quality and mass defect value are respectively in (635.4-915.8) and (0.4369-0.8125) scope, then this type of material belongs to IV class material, i.e. PCs/PEs/PSs/PIs/PAs/PGs material.Under positive ion mode.If containing m/z 184.07 [C
5h
15nO
4p]
+diagnosis fragment and (0.0720-0.0757) Da diagnosis chip mass loss scope, be then PCs; If lose (C
2h
8nO
4p) neutrality loses fragment, be then PEs.Under negative ion mode, if containing m/z 241.01 [C
6h
10pO
8]
-diagnosis fragment and the diagnosis chip mass defective value scope of (0.0088-0.0137) Da, be then PIs; If containing m/z 152.99 [C
3h
6pO
5]
-diagnosis fragment and (0.9937-0.9968) Da diagnosis chip mass loss scope, be then PAs/PGs; If lose (C
3h
5nO
2) neutrality lose fragment, be then PSs.Final to the different classes of compound filtered out, carry out the inquiry of HMDB database, to filtering out target compound fast and accurately.
4, through data base querying checkings such as HMDB and KEGG, the information such as target compound structure are confirmed further.
Employing pyramid screening technique disclosed by the invention is the good effect that endogenous metabolites carries out the method for classification and identification compared with prior art had:
(1) conventional metabolin authentication method be with the comparison of standard items information or with reference to the data in literature delivered or with information matches in database, but because the standard items of endogenous material not easily obtain, interpretation of mass spectra complicated operation, consuming time, there is the phenomenon of different classes of metabolin isomers each other simultaneously.Therefore, the present invention adopts mass defect filtering technique, the loss of diagnosis chip mass is filtered and lost the method for filtering and combining with neutrality, build the pyramid screening technique of endogenous metabolism thing, can quick, sensitive, accurately classification and identification is carried out to endogenous metabolin.
| Characterization method | The method of pyramid screening | Traditional method |
| Time | Short | Long |
| The quantity of classification and identification material | Many | Few |
| Accuracy | High | Low |
| Standard items requirement | Requirement is few | Requirement is large |
(2) this is that the discovery of unknown metabolin provides a new clue with being separated, and the present invention is simultaneously the searching of potential source biomolecule label, even sets forth the change mechanism of endogenous material and explains that the meaning of vital movement has vital effect.There is important directive significance to the classification of compound in the fields such as iipidomic, petrochemical complex, Analysis of Chinese Traditional Medicine, qualification, discovery, separation simultaneously.
Accompanying drawing illustrates:
Accompanying drawing 1: ion flow graph under different-energy;
Accompanying drawing 2: pyramid screening technique figure;
Accompanying drawing 3: the mass defect value scope of all kinds of material;
Accompanying drawing 4: for all kinds of material diagnosis fragment loses chart with neutral.
Embodiment
Below in conjunction with embodiment, the present invention is described, the scheme of embodiment described here, do not limit the present invention, one of skill in the art can make improvements and change according to spirit of the present invention, described these improve and change all should be considered as in scope of the present invention, and the requirement of all having the right of scope of the present invention and essence limits; Wherein used reagent is by commercially available.
Embodiment 1
1, by the chromatographic peak data importing Excel form that extracted by Masslynx software.
2, according to the process of different-energy Collision-induced dissociation, parent ion is with the rising gradually of collision energy in mass spectrum, and response reduces gradually, but fragmention is without this feature, so can extract the information of parent ion and fragmention respectively simultaneously.Under positive ion mode, search parent ion and will meet [M+H]
+, [M+Na]
+, [M+K]
+or [M+H+Na]
+condition; Under negative ion mode, search parent ion and will meet [M-H]
-or [M-HAC]
-condition, simultaneously different fragmention may derive from same compound, needs to carry out merging (see figure 1) to fragmention.
3, utilize pyramid screening technique, a large amount of biological specimen datas carried out to classification and the screening of different classes of target compound:
1) when compound molecule quality and mass defect value are respectively in (60.0-204.1) and (-0.0046-0.1150) scope, then this type of material belongs to I class material, i.e. amino acid, organic acid, monose, monoamine neurotransmitter, base.Subsequently, the fragment ion under different-energy collision-induced is screened further.Under positive ion mode, if lose NH
3losing fragment with the neutrality of HCOOH, is then amino acid; If lose NH
3neutrality lose fragment, be then base or monoamine neurotransmitter; Under negative ion mode, if lose CO
2neutrality lose fragment, be then organic acid.
2) when compound molecule quality and mass defect value are respectively in (227.0-364.3) and (0.0695-0.240) scope, then this type of material belongs to II class material, i.e. nucleosides and steroid hormone.Under positive ion mode, if containing m/z 97.06 [C
6h
9o]
+with m/z 109.06 [C
7h
9o]
+diagnosis fragment and the diagnosis chip mass of corresponding (0.0643-0.0662) and (0.0642-0.0663) Da when losing scope, be then androgen, progestational hormone, glucocorticoid and mineralocorticoid; In the negative ion mode, if containing m/z 145.06 [C
10h
9o]
-diagnosis fragment and (0.0638-0.0667) Da diagnosis chip mass loss scope, be then estrogen; Under positive ion mode, if lose (C5H8O3) and (C5H8O4) neutrality to lose fragment, be then nucleosides.
3) when compound molecule quality and mass defect value are respectively in (412.2-607.5) and (0.2385-0.4576) scope, then this type of material belongs to III class material, i.e. LPEs and LPCs.Under positive ion mode, if containing m/z 184.07 [C
5h
15nO
4p]
+diagnosis fragment and (0.0720-0.0757) Da diagnosis chip mass loss scope, be then LPCs; If lose (C
2h
8nO
4p) neutrality loses fragment, be then LPEs.
4) when compound molecule quality and mass defect value are respectively in (635.4-915.8) and (0.4369-0.8125) scope, then this type of material belongs to IV class material, i.e. PCs/PEs/PSs/PIs/PAs/PGs material.Under positive ion mode.If containing m/z 184.07 [C
5h
15nO
4p]
+diagnosis fragment and (0.0720-0.0757) Da diagnosis chip mass loss scope, be then PCs; If lose (C
2h
8nO
4p) neutrality loses fragment, be then PEs.Under negative ion mode, if containing m/z 241.01 [C
6h
10pO
8]
-diagnosis fragment and the diagnosis chip mass defective value scope of (0.0088-0.0137) Da, be then PIs; If containing m/z 152.99 [C
3h
6pO
5]
-diagnosis fragment and (0.9937-0.9968) Da diagnosis chip mass loss scope, be then PAs/PGs; If lose (C
3h
5nO
2) neutrality lose fragment, be then PSs.Final to the different classes of compound filtered out, carry out the inquiry of HMDB database, to filtering out target compound (see Fig. 2, Fig. 3, Fig. 4) fast and accurately.
4, through data base querying checkings such as HMDB and KEGG, the information such as target compound structure are confirmed further.Mankind's metabolism group database (HMDB) is the details being included in the small molecule metabolites found in human body, provides free electronic databank.Its object is for metabolism group, clinical chemistry, the discovery of biomarker and general educational applications.This database is designed to comprise or link three kinds of data: 1) chemical data, 2) clinical data, 3) molecular biology/biochemical data.This database comprises 41, and the entry of 828 metabolic products comprises water-soluble and fat-soluble metabolin, and the metabolic product of common (> 1 UM) or relatively rare (<1 nm).In addition, 5688 kinds of protein sequences are linked to the entry of these metabolins.Many data fields are hyperlinked to other databases (in KEGG etc.) and various structure and approach and check.The text that this HMDB database support is abundant, sequence, chemical constitution and relational query search.Four extra databases, DrugBank, T3DB, SMPDB and FooDB are also parts for HMDB external member database.DrugBank comprises the information of 1600 medicines and drug metabolism equivalent, T3DB comprises 3100 common toxin and environmental contaminants information, SMPDB comprises the approach of 440 body metabolisms and disease, and FooDB comprises the equivalent information of 28,000 food composition and food additives.
Embodiment 2:
The amino acid whose screening process of liquefaction small-molecule substance:
First, in Clinic Urine Samples positive ion, filter out the M/Z value scope of parent ion, first selected M/Z permutation, then screen, filter out 278 altogether; Then, again filter out in the result of having screened and meet amino acids material mass scope, the mass range of amino acids material is 75.032-204.0899, sift out 234 altogether; Secondly, in all M/Z values meeting amino acid masses scope, be worth fraction part with all M/Z that INT function is asked, these decimals are exactly their mass defect value.Lose scope (loss scope is 0.0197-0.1117) by amino acid masses to screen further, obtain 183 altogether; Finally, the M/Z value of having screened is inquired about in HMDB, retain containing [M+H]
+[M+Na]
+data, finding amino acid in urine sample positive ion altogether has 34.Illustrate that this method contributes to screening and the qualification of amino acids material in metabolism group, the result according to gained can explain from molecule angle the machine-processed mechanism that relevant disease produces.
Embodiment 3
The screening process of lipid material PE:
First, in animal blood sample positive ion, filter out the M/Z value scope meeting lipid material parent ion, first selected M/Z permutation, then screen, the M/Z value scope of parent ion, is 70.0-992.0, filters out 797 altogether; Then, filter out and meet PE class material mass scope in parent ion, selected M/Z value permutation, screen, the mass range of screening is 637.4806-916.6976, sifts out 190 altogether; Secondly, in all data meeting PE class mass range, the fraction part of all M/Z values asked with INT function, then screen further by PE class mass defect scope, the mass defect scope of PE class is 0.4369-0.7656, has screened rear PE class and has obtained 157 altogether; Then, M/Z values all in blood sample positive ion are added neutral loss, neutral loss is 141.0, again filters out the M/Z value meeting PE class mass range, screen further on this basis meet PE class mass defect scope have 1484; Finally, the M/Z value of having screened is inquired about in HMDB, retain containing [M+H]
+[M+Na]
+data, filtering out PE class in blood sample positive ion altogether has 34.By identifying result, this sorting technique can be applied in the middle of metabolism group and iipidomic, clinical detection and biochemistry kit research after contributing to.
Claims (3)
1. adopt pyramid screening technique to carry out a method for classification and identification to endogenous metabolites, it is characterized in that being undertaken by following step:
(1) by the chromatographic peak data importing Excel form that extracted by Masslynx software;
(2) according to the process of different-energy Collision-induced dissociation, in the positive-ion mode, search parent ion will meet [M+H]
+, [M+Na]
+, [M+K]
+or [M+H+Na]
+condition; In the negative ion mode, search parent ion will meet [M-H]
-or [M-HAC]
-condition, fragmention is merged;
(3) utilize pyramid screening technique, a large amount of biological specimen datas carried out to classification and the screening of different classes of target compound:
(4) through data base querying checkings such as HMDB and KEGG, the information such as target compound structure are confirmed further; Wherein said pyramid screening technique refers to:
1) when compound molecule quality and mass defect value are respectively in 60.0-204.1 and-0.0046-0.1150 scope, then this type of material belongs to I class material, subsequently the fragment ion under different-energy collision-induced is screened further, under positive ion mode, if lose NH
3losing fragment with the neutrality of HCOOH, is then amino acid; If lose NH
3neutrality lose fragment, be then base or monoamine neurotransmitter; Under negative ion mode, if lose CO
2neutrality lose fragment, be then organic acid;
2) when compound molecule quality and mass defect value are respectively within the scope of 227.0-364.3 and 0.0695-0.240, then this type of material belongs to II class material, i.e. nucleosides and steroid hormone; In the positive-ion mode, if containing m/z 97.06 [C
6h
9o]
+with m/z 109.06 [C
7h
9o]
+diagnosis fragment and corresponding 0.0643-0.0662 and 0.0642-0.0663 Da diagnosis chip mass loss scope time, be then steroid hormone; In the negative ion mode, if containing m/z 145.06 [C
10h
9o]
-diagnosis fragment and 0.0638-0.0667 Da diagnosis chip mass loss scope, be then estrogen; Under positive ion mode, if lose C5H8O3 and C5H8O4 neutrality to lose fragment, be then nucleosides;
3) when compound molecule quality and mass defect value are respectively within the scope of 412.2-607.5 and 0.2385-0.4576, then this type of material belongs to III class material, i.e. LPEs and LPCs; Under positive ion mode, if containing m/z 184.07 [C
5h
15nO
4p]
+diagnosis fragment and 0.0720-0.0757 Da diagnosis chip mass loss scope, be then LPCs; If lose (C
2h
8nO
4p) neutrality loses fragment, be then LPEs;
When compound molecule quality and mass defect value are respectively within the scope of 635.4-915.8 and 0.4369-0.8125, then this type of material belongs to IV class material, i.e. PCs/PEs/PSs/PIs/PAs/PGs material; Under positive ion mode, if containing m/z 184.07 [C
5h
15nO
4p]
+diagnosis fragment and 0.0720-0.0757 Da diagnosis chip mass loss scope, be then PCs; If lose (C
2h
8nO
4p) neutrality loses fragment, be then PEs; Under negative ion mode, if containing m/z 241.01 [C
6h
10pO
8]
-diagnosis fragment and the diagnosis chip mass defective value scope of 0.0088-0.0137 Da, be then PIs; If containing m/z 152.99 [C
3h
6pO
5]
-diagnosis fragment and 0.9937-0.9968Da diagnosis chip mass loss scope, be then PAs/PGs; If lose (C
3h
5nO
2) neutrality lose fragment, being then PSs, finally to the different classes of compound filtered out, carrying out the inquiry of HMDB database, to filtering out target compound fast and accurately.
2. adopt pyramid screening technique to carry out the method for classification and identification to endogenous metabolites described in claim 1, wherein said I class material refers to: amino acid, organic acid, monose, monoamine neurotransmitter, base.
3. adopt pyramid screening technique to carry out the method for classification and identification to endogenous metabolites described in claim 1, wherein said steroid hormone refers to: androgen, progestational hormone, glucocorticoid and mineralocorticoid.
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Cited By (1)
| Publication number | Priority date | Publication date | Assignee | Title |
|---|---|---|---|---|
| CN105095448A (en) * | 2015-07-24 | 2015-11-25 | 浙江大远智慧制药工程技术有限公司 | Database construction method for mass spectrum analysis of natural product |
Citations (2)
| Publication number | Priority date | Publication date | Assignee | Title |
|---|---|---|---|---|
| US20030180800A1 (en) * | 2002-03-22 | 2003-09-25 | Lee Wai-Nang Paul | Stable isotope based dynamic metabolic profiling of living organisms for characterization of metabolic diseases, drug testing and drug development |
| US20040151343A1 (en) * | 2003-01-31 | 2004-08-05 | Lee Harry C. | Automatic target recognition system with elliptical laplacian pyramid filter |
-
2014
- 2014-07-11 CN CN201410329539.1A patent/CN104237493B/en not_active Expired - Fee Related
Patent Citations (2)
| Publication number | Priority date | Publication date | Assignee | Title |
|---|---|---|---|---|
| US20030180800A1 (en) * | 2002-03-22 | 2003-09-25 | Lee Wai-Nang Paul | Stable isotope based dynamic metabolic profiling of living organisms for characterization of metabolic diseases, drug testing and drug development |
| US20040151343A1 (en) * | 2003-01-31 | 2004-08-05 | Lee Harry C. | Automatic target recognition system with elliptical laplacian pyramid filter |
Non-Patent Citations (4)
| Title |
|---|
| LIYUAN ZHANG ET AL: "Determination of eight amino acids in mice embryonic stem cells by pre-column derivatization HPLC with fluorescence detection", 《JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS》 * |
| 刘亚玲等: "警犬血浆内源性代谢物的气相色谱一质谱分析", 《分析仪器》 * |
| 刘睿等: "HPLC-DAD 法同时测定苦碟子注射液中10 种核苷类成分", <中草药> * |
| 张丽媛等: "RRLC—O—TOF／MS分析金银花的化学成分", 《南药学》 * |
Cited By (1)
| Publication number | Priority date | Publication date | Assignee | Title |
|---|---|---|---|---|
| CN105095448A (en) * | 2015-07-24 | 2015-11-25 | 浙江大远智慧制药工程技术有限公司 | Database construction method for mass spectrum analysis of natural product |
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