ACCESSION: MSBNK-EPA-ENTACT_AGILENT000436
RECORD_TITLE: 2-(Phenylsulfonyl)aniline; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-0006-9300000000-376a45a3b3da47d60a9f
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  65.038577 3.920457 39
  77.038577 2.38969 23
  80.049476 3.176293 31
  92.049476 99.999999 999
  92.083181 1.974809 19
  93.057301 26.936596 269
  108.04439 33.7368 337
  156.011376 18.55027 185
  234.058326 3.441871 34
//