ACCESSION: MSBNK-EPA-ENTACT_AGILENT000286
RECORD_TITLE: Butane-1-sulfonyl chloride; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Butane-1-sulfonyl chloride
CH$NAME: DTXSID3044883
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₉ClO₂S
CH$EXACT_MASS: 156.0011779717
CH$SMILES: CCCCS(=O)(=O)Cl
CH$IUPAC: InChI=1S/C4H9ClO2S/c1-2-3-4-8(5,6)7/h2-4H2,1H3
CH$LINK: CAS 2386-60-9
CH$LINK: INCHIKEY WEDIIKBPDQQQJU-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:75430

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

MS$FOCUSED_ION: PRECURSOR_M/Z 157.0084544234
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-03di-9000000000-5705f904718d25397f9a
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  44.979347 1.107163 11
  45.987172 2.840222 28
  46.994997 25.433663 254
  48.974262 4.008057 40
  61.010647 12.030081 120
  62.018472 6.146208 61
  62.989912 4.213323 42
  63.997737 99.999998 999
  64.051881 1.073963 10
  79.021212 25.127352 251
//