MassBank Record: KO001425



 Methyl sulfate; LC-ESI-QQ; MS2; CE:40 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001425
RECORD_TITLE: Methyl sulfate; LC-ESI-QQ; MS2; CE:40 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 111 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-001i-9000000000-500392655ee1e35d6aa0 PK$NUM_PEAK: 13 PK$PEAK: m/z int. rel.int. 31.500 103960.5 2 45.800 123762.5 2 59.200 316832.0 6 60.800 79208.0 2 61.200 198020.0 4 64.100 108911.0 2 79.200 153465.5 3 80.100 52485201.0 999 81.100 1153466.5 22 95.200 94059.5 2 96.100 12910904.0 246 97.000 410891.5 8 111.200 1113862.5 21 //