EP1368757A2 - Automatisation d'acquisition, d'analyse et de diffusion electronique de donnees experimentales - Google Patents
Automatisation d'acquisition, d'analyse et de diffusion electronique de donnees experimentalesInfo
- 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- Withdrawn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
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- 238000000034 method Methods 0.000 claims abstract description 48
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- 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
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- IJGRMHOSHXDMSA-UHFFFAOYSA-N Atomic nitrogen Chemical compound N#N IJGRMHOSHXDMSA-UHFFFAOYSA-N 0.000 description 4
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- WEVYAHXRMPXWCK-UHFFFAOYSA-N Acetonitrile Chemical compound CC#N WEVYAHXRMPXWCK-UHFFFAOYSA-N 0.000 description 3
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- 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
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- 102400000344 Angiotensin-1 Human genes 0.000 description 1
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- 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
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- 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
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- 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
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- 230000002596 correlated effect Effects 0.000 description 1
- 230000000875 corresponding effect Effects 0.000 description 1
- 229960000640 dactinomycin Drugs 0.000 description 1
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- 229960002188 dibromotyrosine Drugs 0.000 description 1
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- 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
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- 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
Landscapes
- Physics & Mathematics (AREA)
- General Physics & Mathematics (AREA)
- Other Investigation Or Analysis Of Materials By Electrical Means (AREA)
Abstract
L'invention concerne un système assurant essentiellement l'interface avec des instruments de laboratoire pour l'acquisition de données expérimentales, puis pour le traitement de ces données dans un format approprié à la diffusion électronique et pour leur transmission aux sujets. Selon une variante, le système décrit fait l'acquisition automatique de données d'analyse ES-MS à haute résolution, en spectrométrie de masse ICR-FTMS. A l'injection de chaque échantillon, un autoéchantillonneur transmet un signal de fermeture de contact au spectromètre de masse pour lancer l'acquisition de données. Un progiciel est ensuite utilisé hors ligne pour l'acceptation d'une liste d'échantillons comportant des informations d'entrée associées aux différents échantillons. Pour chacun des échantillons, le logiciel traite et interprète automatiquement les données acquises. Enfin, le système imprime les spectres, les listes de crêtes, les rapports de masse exacts, et adresse par messagerie électronique les rapports de masse exacts aux sujets.
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 (fr) | 2000-02-28 | 2001-02-28 | Automatisation d'acquisition, d'analyse et de diffusion electronique de donnees experimentales |
Publications (1)
Publication Number | Publication Date |
---|---|
EP1368757A2 true EP1368757A2 (fr) | 2003-12-10 |
Family
ID=24048716
Family Applications (1)
Application Number | Title | Priority Date | Filing Date |
---|---|---|---|
EP01914604A Withdrawn EP1368757A2 (fr) | 2000-02-28 | 2001-02-28 | Automatisation d'acquisition, d'analyse et de diffusion electronique de donnees experimentales |
Country Status (2)
Country | Link |
---|---|
EP (1) | EP1368757A2 (fr) |
WO (1) | WO2001065401A2 (fr) |
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/fr active Application Filing
- 2001-02-28 EP EP01914604A patent/EP1368757A2/fr 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 (fr) | 2001-09-07 |
WO2001065401A3 (fr) | 2003-10-16 |
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