MassBank Record: KO001136



 Serine O-sulfate; LC-ESI-QQ; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001136
RECORD_TITLE: Serine O-sulfate; LC-ESI-QQ; MS2; CE:20 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 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 184 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0002-9400000000-41084ae8b13269eca73c PK$NUM_PEAK: 11 PK$PEAK: m/z int. rel.int. 35.100 84158.5 10 73.300 24752.5 3 78.600 19802.0 2 84.800 39604.0 5 96.900 8742583.0 999 104.200 534654.0 61 132.500 29703.0 3 139.300 24752.5 3 140.200 39604.0 5 148.200 2425745.0 277 184.100 990100.0 113 //