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MassBank Record: KO001135

Serine O-sulfate; LC-ESI-QQ; MS2; CE:10 V; [M-H]-

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO001135
RECORD_TITLE: Serine O-sulfate; LC-ESI-QQ; MS2; CE:10 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID H096

CH$NAME: Serine O-sulfate
CH$NAME: L-Serine O-sulfate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C3H7NO6S
CH$EXACT_MASS: 184.99941
CH$SMILES: N[C@@H](COS(O)(=O)=O)C(O)=O
CH$IUPAC: InChI=1S/C3H7NO6S/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1
CH$LINK: KEGG C02703
CH$LINK: PUBCHEM SID:5666
CH$LINK: INCHIKEY LFZGUGJDVUUGLK-REOHCLBHSA-N
CH$LINK: COMPTOX DTXSID80211652

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 184
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-001i-0900000000-80402557d7f34b01d1d1
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  97.300 876238.5 61
  139.200 39604.0 3
  148.000 2153467.5 151
  151.200 9901.0 1
  165.800 14851.5 1
  184.000 14237638.0 999
  324.300 49505.0 3
//

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