ACCESSION: MSBNK-EPA-ENTACT_AGILENT000287
RECORD_TITLE: Butane-1-sulfonyl chloride; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-004i-9000000000-83e3c055b88de4b134b3
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  46.994997 1.4641 14
  61.010647 5.619782 56
  62.018472 1.463077 14
  63.997737 16.015722 159
  79.021212 99.999997 999
//