ACCESSION: MSBNK-EPA-ENTACT_AGILENT000916
RECORD_TITLE: 4-Propylaniline; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 4-Propylaniline
CH$NAME: DTXSID5048180
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₃N
CH$EXACT_MASS: 135.1047994221
CH$SMILES: CCCC1=CC=C(N)C=C1
CH$IUPAC: InChI=1S/C9H13N/c1-2-3-8-4-6-9(10)7-5-8/h4-7H,2-3,10H2,1H3
CH$LINK: CAS 2696-84-6
CH$LINK: INCHIKEY OAPDPORYXWQVJE-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:75908

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$FOCUSED_ION: PRECURSOR_M/Z 136.1120758738
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0006-9200000000-be80874afa863c7cb0c6
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  39.022927 1.746206 17
  41.038577 25.916527 258
  43.054227 35.600736 355
  44.062052 1.171525 11
  65.038577 6.621106 66
  67.054227 1.08169 10
  77.038577 23.640407 236
  78.046402 2.487311 24
  79.054227 4.261227 42
  89.038577 1.375294 13
  90.046402 10.108083 100
  91.054227 77.372873 772
  92.062052 6.917301 69
  93.057301 20.19367 201
  94.065126 99.999998 999
  95.072951 7.42074 74
  103.054227 2.804488 28
  104.062052 3.580626 35
  106.065126 14.605129 145
  107.072951 14.85093 148
  115.054227 1.682895 16
  117.069877 4.702189 46
  119.085527 2.727787 27
  136.112076 48.460398 484
//