EP1368757A2 - Automatisierung der erfassung, analyse und elektronischen zustellung von versuchsdaten - Google Patents
Automatisierung der erfassung, analyse und elektronischen zustellung von versuchsdatenInfo
- Publication number
- EP1368757A2 EP1368757A2 EP01914604A EP01914604A EP1368757A2 EP 1368757 A2 EP1368757 A2 EP 1368757A2 EP 01914604 A EP01914604 A EP 01914604A EP 01914604 A EP01914604 A EP 01914604A EP 1368757 A2 EP1368757 A2 EP 1368757A2
- Authority
- EP
- European Patent Office
- Prior art keywords
- data
- submitting
- request
- delivery
- person
- Prior art date
- Legal status (The legal status is an assumption and is not a legal conclusion. Google has not performed a legal analysis and makes no representation as to the accuracy of the status listed.)
- Withdrawn
Links
- 238000004458 analytical method Methods 0.000 title claims description 21
- 238000000034 method Methods 0.000 claims abstract description 48
- 230000008569 process Effects 0.000 claims abstract description 10
- 230000005540 biological transmission Effects 0.000 claims abstract description 6
- 238000005259 measurement Methods 0.000 claims description 15
- 238000012545 processing Methods 0.000 claims description 11
- 230000004044 response Effects 0.000 claims description 3
- 238000002716 delivery method Methods 0.000 claims 4
- 230000002452 interceptive effect Effects 0.000 claims 2
- 230000000694 effects Effects 0.000 claims 1
- 238000001228 spectrum Methods 0.000 abstract description 9
- 238000004252 FT/ICR mass spectrometry Methods 0.000 abstract description 3
- 238000000119 electrospray ionisation mass spectrum Methods 0.000 abstract 1
- 238000002347 injection Methods 0.000 abstract 1
- 239000007924 injection Substances 0.000 abstract 1
- 150000002500 ions Chemical class 0.000 description 29
- 239000000523 sample Substances 0.000 description 21
- 239000003814 drug Substances 0.000 description 5
- 239000007788 liquid Substances 0.000 description 5
- 238000013515 script Methods 0.000 description 5
- IJGRMHOSHXDMSA-UHFFFAOYSA-N Atomic nitrogen Chemical compound N#N IJGRMHOSHXDMSA-UHFFFAOYSA-N 0.000 description 4
- 238000006243 chemical reaction Methods 0.000 description 4
- 230000005284 excitation Effects 0.000 description 4
- 239000000203 mixture Substances 0.000 description 4
- 238000011160 research Methods 0.000 description 4
- 238000012546 transfer Methods 0.000 description 4
- WEVYAHXRMPXWCK-UHFFFAOYSA-N Acetonitrile Chemical compound CC#N WEVYAHXRMPXWCK-UHFFFAOYSA-N 0.000 description 3
- 239000003153 chemical reaction reagent Substances 0.000 description 3
- 239000007789 gas Substances 0.000 description 3
- 229910052710 silicon Inorganic materials 0.000 description 3
- 239000010703 silicon Substances 0.000 description 3
- 239000000126 substance Substances 0.000 description 3
- 238000012360 testing method Methods 0.000 description 3
- 230000004304 visual acuity Effects 0.000 description 3
- RJURFGZVJUQBHK-UHFFFAOYSA-N actinomycin D Natural products CC1OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C2CCCN2C(=O)C(C(C)C)NC(=O)C1NC(=O)C1=C(N)C(=O)C(C)=C2OC(C(C)=CC=C3C(=O)NC4C(=O)NC(C(N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)=O)C(C)C)=C3N=C21 RJURFGZVJUQBHK-UHFFFAOYSA-N 0.000 description 2
- 239000012491 analyte Substances 0.000 description 2
- 230000008901 benefit Effects 0.000 description 2
- 150000001793 charged compounds Chemical class 0.000 description 2
- 238000010586 diagram Methods 0.000 description 2
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- 230000010354 integration Effects 0.000 description 2
- 238000004949 mass spectrometry Methods 0.000 description 2
- 239000000463 material Substances 0.000 description 2
- 229910052757 nitrogen Inorganic materials 0.000 description 2
- 230000009467 reduction Effects 0.000 description 2
- 238000004611 spectroscopical analysis Methods 0.000 description 2
- CUKWUWBLQQDQAC-VEQWQPCFSA-N (3s)-3-amino-4-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s,3s)-1-[[(2s)-1-[(2s)-2-[[(1s)-1-carboxyethyl]carbamoyl]pyrrolidin-1-yl]-3-(1h-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-ox Chemical compound C([C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC=1NC=NC=1)C(=O)N1[C@@H](CCC1)C(=O)N[C@@H](C)C(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C1=CC=C(O)C=C1 CUKWUWBLQQDQAC-VEQWQPCFSA-N 0.000 description 1
- COESHZUDRKCEPA-ZETCQYMHSA-N 3,5-dibromo-L-tyrosine Chemical compound OC(=O)[C@@H](N)CC1=CC(Br)=C(O)C(Br)=C1 COESHZUDRKCEPA-ZETCQYMHSA-N 0.000 description 1
- 102400000344 Angiotensin-1 Human genes 0.000 description 1
- 101800000734 Angiotensin-1 Proteins 0.000 description 1
- 102400000345 Angiotensin-2 Human genes 0.000 description 1
- 101800000733 Angiotensin-2 Proteins 0.000 description 1
- 108010051479 Bombesin Proteins 0.000 description 1
- 102000013585 Bombesin Human genes 0.000 description 1
- 101800004538 Bradykinin Proteins 0.000 description 1
- 102400000967 Bradykinin Human genes 0.000 description 1
- JZUFKLXOESDKRF-UHFFFAOYSA-N Chlorothiazide Chemical compound C1=C(Cl)C(S(=O)(=O)N)=CC2=C1NCNS2(=O)=O JZUFKLXOESDKRF-UHFFFAOYSA-N 0.000 description 1
- 108010092160 Dactinomycin Proteins 0.000 description 1
- QEVGZEDELICMKH-UHFFFAOYSA-N Diglycolic acid Chemical compound OC(=O)COCC(O)=O QEVGZEDELICMKH-UHFFFAOYSA-N 0.000 description 1
- QXZGBUJJYSLZLT-UHFFFAOYSA-N H-Arg-Pro-Pro-Gly-Phe-Ser-Pro-Phe-Arg-OH Natural products NC(N)=NCCCC(N)C(=O)N1CCCC1C(=O)N1C(C(=O)NCC(=O)NC(CC=2C=CC=CC=2)C(=O)NC(CO)C(=O)N2C(CCC2)C(=O)NC(CC=2C=CC=CC=2)C(=O)NC(CCCN=C(N)N)C(O)=O)CCC1 QXZGBUJJYSLZLT-UHFFFAOYSA-N 0.000 description 1
- 108010022337 Leucine Enkephalin Proteins 0.000 description 1
- 206010057175 Mass conditions Diseases 0.000 description 1
- 108010036176 Melitten Proteins 0.000 description 1
- 238000009825 accumulation Methods 0.000 description 1
- RJURFGZVJUQBHK-IIXSONLDSA-N actinomycin D Chemical compound C[C@H]1OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]2CCCN2C(=O)[C@@H](C(C)C)NC(=O)[C@H]1NC(=O)C1=C(N)C(=O)C(C)=C2OC(C(C)=CC=C3C(=O)N[C@@H]4C(=O)N[C@@H](C(N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)=O)C(C)C)=C3N=C21 RJURFGZVJUQBHK-IIXSONLDSA-N 0.000 description 1
- ORWYRWWVDCYOMK-HBZPZAIKSA-N angiotensin I Chemical compound C([C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC=1NC=NC=1)C(=O)N1[C@@H](CCC1)C(=O)N[C@@H](CC=1C=CC=CC=1)C(=O)N[C@@H](CC=1NC=NC=1)C(=O)N[C@@H](CC(C)C)C(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C1=CC=C(O)C=C1 ORWYRWWVDCYOMK-HBZPZAIKSA-N 0.000 description 1
- 238000013459 approach Methods 0.000 description 1
- 238000013475 authorization Methods 0.000 description 1
- DNDCVAGJPBKION-DOPDSADYSA-N bombesin Chemical compound C([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC=1NC2=CC=CC=C2C=1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1NC(=O)CC1)C(C)C)C1=CN=CN1 DNDCVAGJPBKION-DOPDSADYSA-N 0.000 description 1
- QXZGBUJJYSLZLT-FDISYFBBSA-N bradykinin Chemical compound NC(=N)NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1[C@H](C(=O)NCC(=O)N[C@@H](CC=2C=CC=CC=2)C(=O)N[C@@H](CO)C(=O)N2[C@@H](CCC2)C(=O)N[C@@H](CC=2C=CC=CC=2)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)CCC1 QXZGBUJJYSLZLT-FDISYFBBSA-N 0.000 description 1
- 238000000451 chemical ionisation Methods 0.000 description 1
- WIIZWVCIJKGZOK-RKDXNWHRSA-N chloramphenicol Chemical compound ClC(Cl)C(=O)N[C@H](CO)[C@H](O)C1=CC=C([N+]([O-])=O)C=C1 WIIZWVCIJKGZOK-RKDXNWHRSA-N 0.000 description 1
- 229960005091 chloramphenicol Drugs 0.000 description 1
- 229960002155 chlorothiazide Drugs 0.000 description 1
- 230000001427 coherent effect Effects 0.000 description 1
- 238000011109 contamination Methods 0.000 description 1
- 238000007796 conventional method Methods 0.000 description 1
- 230000002596 correlated effect Effects 0.000 description 1
- 230000000875 corresponding effect Effects 0.000 description 1
- 229960000640 dactinomycin Drugs 0.000 description 1
- 230000001419 dependent effect Effects 0.000 description 1
- 238000013461 design Methods 0.000 description 1
- 229960002188 dibromotyrosine Drugs 0.000 description 1
- 238000009826 distribution Methods 0.000 description 1
- 238000001035 drying Methods 0.000 description 1
- 230000005684 electric field Effects 0.000 description 1
- 238000000132 electrospray ionisation Methods 0.000 description 1
- 238000002474 experimental method Methods 0.000 description 1
- 238000004401 flow injection analysis Methods 0.000 description 1
- 238000004128 high performance liquid chromatography Methods 0.000 description 1
- 238000001802 infusion Methods 0.000 description 1
- 230000000155 isotopic effect Effects 0.000 description 1
- URLZCHNOLZSCCA-UHFFFAOYSA-N leu-enkephalin Chemical compound C=1C=C(O)C=CC=1CC(N)C(=O)NCC(=O)NCC(=O)NC(C(=O)NC(CC(C)C)C(O)=O)CC1=CC=CC=C1 URLZCHNOLZSCCA-UHFFFAOYSA-N 0.000 description 1
- 238000004895 liquid chromatography mass spectrometry Methods 0.000 description 1
- 238000001819 mass spectrum Methods 0.000 description 1
- VDXZNPDIRNWWCW-JFTDCZMZSA-N melittin Chemical compound NCC(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O)CC1=CNC2=CC=CC=C12 VDXZNPDIRNWWCW-JFTDCZMZSA-N 0.000 description 1
- CWWARWOPSKGELM-SARDKLJWSA-N methyl (2s)-2-[[(2s)-2-[[2-[[(2s)-2-[[(2s)-2-[[(2s)-5-amino-2-[[(2s)-5-amino-2-[[(2s)-1-[(2s)-6-amino-2-[[(2s)-1-[(2s)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-5 Chemical compound C([C@@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)OC)NC(=O)[C@H](CC=1C=CC=CC=1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1N(CCC1)C(=O)[C@H](CCCCN)NC(=O)[C@H]1N(CCC1)C(=O)[C@@H](N)CCCN=C(N)N)C1=CC=CC=C1 CWWARWOPSKGELM-SARDKLJWSA-N 0.000 description 1
- 238000004452 microanalysis Methods 0.000 description 1
- 229930014626 natural product Natural products 0.000 description 1
- 229920001223 polyethylene glycol Polymers 0.000 description 1
- 108090000765 processed proteins & peptides Proteins 0.000 description 1
- 239000002904 solvent Substances 0.000 description 1
- 230000003595 spectral effect Effects 0.000 description 1
- 239000013598 vector Substances 0.000 description 1
- 230000000007 visual effect Effects 0.000 description 1
- XLYOFNOQVPJJNP-UHFFFAOYSA-N water Substances O XLYOFNOQVPJJNP-UHFFFAOYSA-N 0.000 description 1
Classifications
-
- G—PHYSICS
- G01—MEASURING; TESTING
- G01D—MEASURING NOT SPECIALLY ADAPTED FOR A SPECIFIC VARIABLE; ARRANGEMENTS FOR MEASURING TWO OR MORE VARIABLES NOT COVERED IN A SINGLE OTHER SUBCLASS; TARIFF METERING APPARATUS; MEASURING OR TESTING NOT OTHERWISE PROVIDED FOR
- G01D1/00—Measuring arrangements giving results other than momentary value of variable, of general application
Definitions
- This invention relates generally to a method of automating the
- This invention relates in general to a method of automating
- mass spectrometers are instruments that are used to determine the
- the masses of the resultant ions are determined in vacuum by a mass
- Mass/charge analyzer that measures their mass/charge (m/z) ratio.
- analyzers come in a variety of types, including magnetic field (B) ,
- TOF time-of-flight
- spectrometric method has a unique set of attributes .
- ion cyclotron resonance spectrometers operate by
- the packet of ions passes close to the receiver plates in the
- ICR cell and induces image currents that can be amplified
- the signal induced in the receiver plates depends on
- the image currents induced in the receiver plates will contain
- the device includes a sample delivery pump for
- a reagent delivery pump for dispensing a precise amount of the
- test liquid passes along
- MacPhail U.S. Patent No. 5,089,956 relates to a method for
- a user indicates to the system
- the selected document is
- Kitain et al U.S. Patent No. 5,864,871 is directed to an
- An integral database stores research reports produced by
- a delivery module allows a user to submit a
- query results may be delivered via the Internet .
- Kitain et al is directed largely towards the financial and
- a request is placed by a user for a particular
- a storage location may
- the system delivers the data to the storage location.
- the device converts status signals from the
- the device can then convert the e-mail
- Described herein is a system that interfaces with an analytical instrument, e.g., a mass
- delivery system could take the form of the creation of a web page
- instrumentation need not be of the
- FIG. 1 depicts a flow diagram of the system in an FTICR MS
- FIG. 2 is an example of an acquired spectrum of a mixture of
- FIG. 3 is an example of experimental results that could be e-
- the FTICR mass spectrometer 101 The FTICR mass spectrometer 101
- Model 1100 HPLC system (Degasser, Pump, Diode Array Detector,
- ESI source was used as an external trap to accumulate ions for
- bradykinin substance P
- gramacidin substance P
- bombesin substance P
- actinomycin D actinomycin D
- the carrier solvent used was 1 : 1
- chlorothiazide C7 H6 N3 04 S2 Cl, MW 294.9488
- chloramphenicol Cll H12 N2 05 C12 , MW
- a PC 114 was used to download sample information from a
- Tcl/Tk (Tool command language/Toolkit) .
- Tcl/Tk is a platform
- the processing software could be controlled completely by the Tel script .
- the Tel scripts can also obtain information f om
- the system can be divided into two
- the autosampler within the FTICR MS 101, upon injecting a 5
- FTICR MS sends a TTL trigger 104 to the mass spectrometer 101 to
- the sample typically flows into the ESI source, typically about 30 s.
- the pretuned and precalibrated instrument acquires and sums 30
- domain data 102 is stored for future processing. After a total
- sample information is
- the sample list 110 is transferred as a
- the sample list 110 information (chemist name, notebook
- domain spectra 102 are automatically processed by preset operating
- the processes 108 are apodization of the time-domain data, generally selected as a centered sine bell function, fast
- this module 109 On to data correlation and interpretation, this module 109
- test results for all the samples is generated automatically for
- alias file is set up to link submitter names with their e-mail
- the Tcl/Tk macro calls up an e-mail macro which
- FIG. 2 is an example of an automatically acquired spectrum of
- Exemplary peaks 201, 202, 203 correspond to mass values on the mass/charge x-axis 204 and their high relative intensity on the y-
- FIG. 3 illustrates a typical e-mailed exact-mass report using
- Exemplary adduct values 301, 302, 303 correspond to peak
Applications Claiming Priority (3)
Application Number | Priority Date | Filing Date | Title |
---|---|---|---|
US514793 | 1990-04-26 | ||
US51479300A | 2000-02-28 | 2000-02-28 | |
PCT/US2001/006569 WO2001065401A2 (en) | 2000-02-28 | 2001-02-28 | Automation of acquisition, analysis and electronic delivery of experimental data |
Publications (1)
Publication Number | Publication Date |
---|---|
EP1368757A2 true EP1368757A2 (de) | 2003-12-10 |
Family
ID=24048716
Family Applications (1)
Application Number | Title | Priority Date | Filing Date |
---|---|---|---|
EP01914604A Withdrawn EP1368757A2 (de) | 2000-02-28 | 2001-02-28 | Automatisierung der erfassung, analyse und elektronischen zustellung von versuchsdaten |
Country Status (2)
Country | Link |
---|---|
EP (1) | EP1368757A2 (de) |
WO (1) | WO2001065401A2 (de) |
Families Citing this family (2)
Publication number | Priority date | Publication date | Assignee | Title |
---|---|---|---|---|
CN111078663A (zh) * | 2019-11-26 | 2020-04-28 | 蔡竞慧 | 一种高效实验数据分析系统 |
CN112763432B (zh) * | 2020-12-25 | 2023-04-28 | 中国科学院上海高等研究院 | 一种自动采集吸收谱实验数据的控制方法 |
Citations (2)
Publication number | Priority date | Publication date | Assignee | Title |
---|---|---|---|---|
US6216104B1 (en) * | 1998-02-20 | 2001-04-10 | Philips Electronics North America Corporation | Computer-based patient record and message delivery system |
US6470386B1 (en) * | 1997-09-26 | 2002-10-22 | Worldcom, Inc. | Integrated proxy interface for web based telecommunications management tools |
Family Cites Families (5)
Publication number | Priority date | Publication date | Assignee | Title |
---|---|---|---|---|
WO1996030767A1 (fr) * | 1995-03-27 | 1996-10-03 | Ngk Insulators, Ltd. | Systeme d'analyse automatique |
US5864871A (en) * | 1996-06-04 | 1999-01-26 | Multex Systems | Information delivery system and method including on-line entitlements |
JPH10132956A (ja) * | 1996-10-30 | 1998-05-22 | East Kurieiteibu:Kk | 気象情報提供装置および方法 |
JPH10228311A (ja) * | 1997-02-18 | 1998-08-25 | Shimadzu Corp | 機器故障の遠隔診断システム |
US5923416A (en) * | 1997-03-20 | 1999-07-13 | Hartford Hospital | Automated method and apparatus for evaluating the performance characteristics of endoscopes |
-
2001
- 2001-02-28 WO PCT/US2001/006569 patent/WO2001065401A2/en active Application Filing
- 2001-02-28 EP EP01914604A patent/EP1368757A2/de not_active Withdrawn
Patent Citations (2)
Publication number | Priority date | Publication date | Assignee | Title |
---|---|---|---|---|
US6470386B1 (en) * | 1997-09-26 | 2002-10-22 | Worldcom, Inc. | Integrated proxy interface for web based telecommunications management tools |
US6216104B1 (en) * | 1998-02-20 | 2001-04-10 | Philips Electronics North America Corporation | Computer-based patient record and message delivery system |
Non-Patent Citations (1)
Title |
---|
See also references of WO0165401A3 * |
Also Published As
Publication number | Publication date |
---|---|
WO2001065401A2 (en) | 2001-09-07 |
WO2001065401A3 (en) | 2003-10-16 |
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