ACCESSION: MSBNK-EPA-ENTACT_AGILENT001935
RECORD_TITLE: N-Butyl-p-toluenesulfonamide; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-03fr-9850000000-c7788ecd127a0c1bcd14
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  59.013853 5.063802 50
  63.962449 52.40816 523
  64.970274 100 999
  65.003288 1.452366 14
  79.981173 1.498842 14
  91.055324 5.995031 59
  91.981173 4.042913 40
  106.045784 1.749803 17
  106.066223 19.098553 190
  107.050238 3.142877 31
  118.033208 1.172034 11
  134.028123 1.647406 16
  136.019273 1.607878 16
  136.043773 19.998201 199
  138.014484 1.491585 14
  155.017224 46.203457 461
  155.050238 1.369566 13
  160.113173 17.109917 170
  162.105014 1.063773 10
  162.128823 15.107441 150
  170.006993 1.398917 13
  170.028123 19.790171 197
  226.090723 99.527211 994
//