ACCESSION: MSBNK-Keio_Univ-KO001489
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 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$LINK: PUBCHEM SID:13327
CH$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$SPLASH: splash10-001i-9000000000-0cfeab6d93c98925da4d
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  66.700 29703.0 1
  77.000 44554.5 1
  78.300 24752.5 1
  79.200 143564.5 2
  80.100 63331746.5 999
  95.000 5668322.5 89
//