ACCESSION: MSBNK-EPA-ENTACT_AGILENT001934
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 NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10

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$SPLASH: splash10-004i-0090000000-059e75978716759fc78f
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  63.962449 2.337831 23
  64.970274 4.337985 43
  136.043773 1.119359 11
  160.113173 1.425632 14
  162.128823 2.845608 28
  170.028123 1.920372 19
  226.090723 100.000003 999
//