MassBank Record: KO001359



 Methanesulfonic acid; 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: KO001359
RECORD_TITLE: Methanesulfonic acid; 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 M021

CH$NAME: Methanesulfonate CH$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 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 95 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-001i-9000000000-a46f67d1eb563b25c3d5 PK$NUM_PEAK: 4 PK$PEAK: m/z int. rel.int. 64.200 123762.5 7 79.200 89109.0 5 80.100 18896058.5 999 95.300 232673.5 12 //