ACCESSION: MSBNK-EPA-ENTACT_AGILENT000162
RECORD_TITLE: 4-Anilinophenol; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 4-Anilinophenol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₁NO
CH$EXACT_MASS: 185.0840639806
CH$SMILES: OC1C=CC(=CC=1)NC1C=CC=CC=1
CH$IUPAC: InChI=1S/C12H11NO/c14-12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,13-14H
CH$LINK: CAS 122-37-2
CH$LINK: INCHIKEY JTTMYKSFKOOQLP-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:31208

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$FOCUSED_ION: PRECURSOR_M/Z 186.0913404323
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0a59-9800000000-a9539447481cb66660a8
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  39.022927 1.946149 19
  53.038577 2.889084 28
  65.038577 18.094455 180
  66.046402 5.187643 51
  77.038577 1.113388 11
  80.049476 51.120317 510
  81.033491 14.641777 146
  81.057301 10.132844 101
  82.041316 2.101492 20
  92.049476 4.406395 44
  93.057301 18.024274 180
  108.04439 11.656055 116
  109.052215 100.000001 999
  109.088601 1.384427 13
  115.054227 2.918257 29
  166.065126 1.023983 10
  167.072951 1.537518 15
//