ACCESSION: MSBNK-GL_Sciences_Inc-GLS00117
RECORD_TITLE: Cystamine; EI-B; MS; n TMS; RT: 910.38 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: GLS
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$NAME: Cystamine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₄H₁₂N₂S₂
CH$EXACT_MASS: 152.04419
CH$SMILES: NCCSSCCN
CH$IUPAC: InChI=1S/C4H12N2S2/c5-1-3-7-8-4-2-6/h1-6H2
CH$LINK: CAS 51-85-4
CH$LINK: CHEBI 193843
CH$LINK: INCHIKEY APQPRKLAWCIJEK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60199005

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$CHROMATOGRAPHY: RETENTION_INDEX 910.38
AC$CHROMATOGRAPHY: RETENTION_TIME 2238.44
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

MS$FOCUSED_ION: DERIVATIVE_TYPE n TMS
MS$DATA_PROCESSING: WHOLE GCMSsolution

PK$SPLASH: splash10-00di-0900000000-5906a2cb99d59d5ae980
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//