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) \n

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$LINK: PUBCHEM SID:5666
AC$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 //