ACCESSION: MSBNK-EPA-ENTACT_AGILENT000918
RECORD_TITLE: 4-Propylaniline; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-00kf-9000000000-8b6600d99c46468f0788
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  39.022927 27.374634 273
  40.030752 1.575639 15
  41.038577 38.729309 386
  42.046402 1.462294 14
  43.054227 5.663774 56
  50.015101 1.801373 17
  51.022927 36.71978 366
  52.030752 2.973154 29
  53.038577 4.138423 41
  62.015101 1.526081 15
  63.022927 11.765722 117
  64.030752 5.546523 55
  65.038577 100.000001 999
  66.046402 11.2427 112
  67.041651 1.451893 14
  67.054227 1.919989 19
  75.022927 2.078322 20
  77.038577 79.446814 793
  78.046402 14.333271 143
  79.054227 11.922913 119
  80.062052 2.230314 22
  89.038577 50.007011 499
  90.046402 33.271499 332
  91.054227 73.033581 729
  92.049476 2.10661 21
  92.062052 8.228973 82
  93.057301 16.382987 163
  94.065126 2.991376 29
  102.046402 1.359752 13
  103.054227 9.057341 90
  104.062052 3.688883 36
  106.065126 20.074694 200
  107.072951 2.000195 19
  115.054227 5.299358 52
//