ACCESSION: MSBNK-Keio_Univ-KO001358
RECORD_TITLE: Methanesulfonic acid; LC-ESI-QQ; MS2; CE:30 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$LINK: PUBCHEM SID:13327
CH$LINK: INCHIKEY AFVFQIVMOAPDHO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4026422

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 30 V

MS$FOCUSED_ION: PRECURSOR_M/Z 95
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-001i-9000000000-9dbf1ef5034c6b42ffd1
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  36.700 19802.0 1
  77.200 59406.0 1
  78.700 89109.0 2
  80.200 44876282.5 999
  95.000 4292083.5 96
//