MassBank Record: KO001426



 Methyl sulfate; LC-ESI-QQ; MS2; CE:50 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001426
RECORD_TITLE: Methyl sulfate; LC-ESI-QQ; MS2; CE:50 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 M062

CH$NAME: Methyl sulfate CH$NAME: Monomethyl sulfate CH$COMPOUND_CLASS: N/A CH$FORMULA: CH4O4S CH$EXACT_MASS: 111.98303 CH$SMILES: COS(O)(=O)=O CH$IUPAC: InChI=1S/CH4O4S/c1-5-6(2,3)4/h1H3,(H,2,3,4) CH$LINK: CAS 75-93-4 CH$LINK: CHEBI 17760 CH$LINK: KEGG C02704 CH$LINK: NIKKAJI J1.470B CH$LINK: PUBCHEM SID:5667
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 111 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-001i-9000000000-6d4020d1e3c59f429311 PK$NUM_PEAK: 12 PK$PEAK: m/z int. rel.int. 31.300 34653.5 2 45.900 84158.5 4 59.100 79208.0 4 61.100 94059.5 5 63.900 396040.0 19 78.200 19802.0 1 80.000 20371307.5 999 81.200 193069.5 9 96.200 4311885.5 211 97.100 217822.0 11 108.900 24752.5 1 111.000 123762.5 6 //