ACCESSION: MSBNK-EPA-ENTACT_AGILENT001939
RECORD_TITLE: N-Butyl-p-toluenesulfonamide; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: N-Butyl-p-toluenesulfonamide
CH$NAME: DTXSID7042198
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₇NO₂S
CH$EXACT_MASS: 227.0979995243
CH$SMILES: CC1C=CC(=CC=1)S(=O)(=O)NCCCC
CH$IUPAC: InChI=1S/C11H17NO2S/c1-3-4-9-12-15(13,14)11-7-5-10(2)6-8-11/h5-8,12H,3-4,9H2,1-2H3
CH$LINK: CAS 1907-65-9
CH$LINK: INCHIKEY RQUXYBHREKXNKT-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:61285

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

MS$FOCUSED_ION: PRECURSOR_M/Z 226.0907230726
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-03di-9100000000-58ac339bd4a300ad8716
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  47.967534 3.492996 34
  48.975359 1.274999 12
  59.013853 1.503565 15
  61.970608 1.555523 15
  63.962449 100 999
  63.995463 1.992891 19
  64.970274 53.328804 532
  78.973348 1.740743 17
  79.981173 2.215046 22
  91.055324 14.176264 141
  91.076453 1.07391 10
  106.066223 8.103642 80
  107.050238 3.568501 35
  121.011744 1.108066 11
  155.017224 10.108958 100
  170.028123 2.027532 20
//