ACCESSION: MSBNK-EPA-ENTACT_AGILENT001937
RECORD_TITLE: N-Butyl-p-toluenesulfonamide; ESI-QTOF; MS2; CE: 10; [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 POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10

MS$FOCUSED_ION: PRECURSOR_M/Z 228.105275976
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0abc-5910000000-b72f725489f33ed49937
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  57.069877 1.75221 17
  65.038577 1.602407 16
  72.080776 14.97379 149
  91.054227 70.904317 708
  155.016127 100.000002 999
  172.042676 38.004565 379
  228.105276 23.241705 232
//