ACCESSION: MSBNK-GL_Sciences_Inc-GLS00009
RECORD_TITLE: L-(+)-Tartrate; EI-B; MS; n TMS; RT: 661.20 s
DATE: 2016.01.19 (Created 2012.08.03, modified 2013.07.31)
AUTHORS: Miyagawa H, Akimoto S, Yamasaki K, GL Sciences Inc.
LICENSE: CC BY-SA
COPYRIGHT: GL Sciences Inc.
COMMENT: The chemical compound was chemically modified with N-methyl-N-trimethylsilyl-trifluoroacetamide(MSTFA) before GC-MS analysis. When it has two or more functional groups, this modification gave a mixture of the TMS derivatives having different number of TMS groups at different functional groups.
CH$NAME: L-(+)-Tartrate
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C4H6O6
CH$EXACT_MASS: 150.01644
CH$SMILES: OC(=O)C(O)C(O)C(O)=O
CH$IUPAC: InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m1/s1
CH$LINK: CAS
87-69-4
CH$LINK: CHEBI
15671
CH$LINK: KEGG
C00898
CH$LINK: PUBCHEM 4154
CH$LINK: INCHIKEY
FEWJPZIEWOKRBE-JCYAYHJZSA-N
CH$LINK: COMPTOX
DTXSID8023632
AC$INSTRUMENT: GCMS-2010 Plus, Shimadzu
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: GAS_PRESSURE 75 kPa
AC$MASS_SPECTROMETRY: ION_SOURCE_TEMPERATURE 200 C
AC$MASS_SPECTROMETRY: SCAN_RANGE_M/Z 85-500
AC$CHROMATOGRAPHY: COLUMN_NAME InertCap 5MS/NP 0.25 mmI.D. x 30 m, df=0.25 um
AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 230 C
AC$CHROMATOGRAPHY: OVEN_TEMPERATURE 80 C(2 min)-15 C/min - 330C
AC$CHROMATOGRAPHY: RETENTION_INDEX 1657
AC$CHROMATOGRAPHY: RETENTION_TIME 661.20
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C
MS$FOCUSED_ION: DERIVATIVE_TYPE n TMS
MS$DATA_PROCESSING: WHOLE GCMSsolution
PK$SPLASH: splash10-0007-0961000000-1b17d674621eb9d88c3c
PK$NUM_PEAK: 384
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//
