ACCESSION: MSBNK-GL_Sciences_Inc-GLS00082
RECORD_TITLE: O-Succinyl-L-Homoserine; EI-B; MS; n TMS; RT: 840.63 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$NAME: O-Succinyl-L-Homoserine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C8H13NO6
CH$EXACT_MASS: 219.07429
CH$SMILES: OC(=O)CCC(=O)OCC[C@H](N)C(O)=O
CH$IUPAC: InChI=1S/C8H13NO6/c9-5(8(13)14)3-4-15-7(12)2-1-6(10)11/h5H,1-4,9H2,(H,10,11)(H,13,14)/t5-/m0/s1
CH$LINK: CAS
1492-23-5
CH$LINK: CHEBI
16160
CH$LINK: KEGG
C01118
CH$LINK: PUBCHEM 4349
CH$LINK: INCHIKEY
GNISQJGXJIDKDJ-YFKPBYRVSA-N
CH$LINK: COMPTOX
DTXSID60164192
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$CHROMATOGRAPHY: RETENTION_INDEX 2059
AC$CHROMATOGRAPHY: RETENTION_TIME 840.63
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C
MS$FOCUSED_ION: DERIVATIVE_TYPE n TMS
MS$DATA_PROCESSING: WHOLE GCMSsolution
PK$SPLASH: splash10-004i-0910000000-0925a4ca2dd9d1ad4d26
PK$NUM_PEAK: 385
PK$PEAK: m/z int. rel.int.
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//
