MassBank Record: KO001488



 Methanesulfonic acid; 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: KO001488
RECORD_TITLE: Methanesulfonic acid; 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 M135

CH$NAME: Methanesulfonate(2) CH$NAME: Methanesulfonic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: CH4O3S CH$EXACT_MASS: 95.98811 CH$SMILES: CS(O)(=O)=O CH$IUPAC: InChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4) CH$LINK: CAS 75-75-2 CH$LINK: KEGG C11145 CH$LINK: NIKKAJI J1.465F CH$LINK: PUBCHEM SID:13327
AC$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$FOCUSED_ION: PRECURSOR_M/Z 95 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-000t-9000000000-840887c9143ddfef2878 PK$NUM_PEAK: 8 PK$PEAK: m/z int. rel.int. 59.500 19802.0 1 65.300 113861.5 2 66.900 39604.0 1 76.900 108911.0 2 78.100 24752.5 1 80.000 42802023.0 724 93.900 39604.0 1 95.000 59049564.0 999 //