ACCESSION: MSBNK-EPA-ENTACT_AGILENT000438
RECORD_TITLE: 2-(Phenylsulfonyl)aniline; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 2-(Phenylsulfonyl)aniline
CH$NAME: DTXSID0044941
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₁NO₂S
CH$EXACT_MASS: 233.0510493329
CH$SMILES: NC1=CC=CC=C1S(=O)(=O)C1C=CC=CC=1
CH$IUPAC: InChI=1S/C12H11NO2S/c13-11-8-4-5-9-12(11)16(14,15)10-6-2-1-3-7-10/h1-9H,13H2
CH$LINK: CAS 4273-98-7
CH$LINK: INCHIKEY JBCUKQQIWSWEOK-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:77956

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 40

MS$FOCUSED_ION: PRECURSOR_M/Z 234.0583257846
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-00kf-9000000000-85d28cedea70f81268b2
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  39.022927 5.24106 52
  51.022927 1.440432 14
  53.038577 2.779842 27
  65.038577 99.999999 999
  66.033826 2.636762 26
  66.046402 13.130537 131
  77.038577 11.515634 115
  80.049476 43.825392 437
  92.049476 86.065691 859
  92.083181 1.444193 14
  93.057301 82.713327 826
  108.04439 13.884253 138
//