ACCESSION: MSBNK-EPA-ENTACT_AGILENT000161
RECORD_TITLE: 4-Anilinophenol; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-0a4i-1900000000-6a64dc50d657a601f4d4
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  65.038577 2.444236 24
  80.049476 2.365466 23
  81.033491 2.030909 20
  92.049476 19.575757 195
  93.057301 11.971324 119
  108.04439 17.843398 178
  109.052215 99.999999 999
  109.088601 1.41348 14
  141.069877 3.059839 30
  167.072951 1.978448 19
  168.080776 1.895998 18
  169.064791 1.630095 16
  185.083515 1.863781 18
  186.09134 45.512376 454
//