ACCESSION: MSBNK-EPA-ENTACT_AGILENT000131
RECORD_TITLE: 4-Hexylaniline; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 4-Hexylaniline
CH$NAME: DTXSID5040708
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₉N
CH$EXACT_MASS: 177.1517496135
CH$SMILES: CCCCCCC1C=CC(N)=CC=1
CH$IUPAC: InChI=1S/C12H19N/c1-2-3-4-5-6-11-7-9-12(13)10-8-11/h7-10H,2-6,13H2,1H3
CH$LINK: CAS 33228-45-4
CH$LINK: INCHIKEY OVEMTTZEBOCJDV-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:36382

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$FOCUSED_ION: PRECURSOR_M/Z 178.1590260652
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-002f-9500000000-36cfd7eddc560304858b
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  41.038577 15.474815 154
  43.054227 74.530913 744
  55.054227 1.974379 19
  57.069877 12.51799 125
  65.038577 1.029518 10
  77.038577 5.820595 58
  90.046402 2.7575 27
  91.054227 31.561362 315
  93.057301 1.634027 16
  94.065126 65.415466 653
  105.069877 2.165326 21
  106.065126 4.949602 49
  107.072951 11.384697 113
  120.080776 1.973565 19
  178.159026 99.999998 999
//