ACCESSION: MSBNK-EPA-ENTACT_AGILENT000917
RECORD_TITLE: 4-Propylaniline; ESI-QTOF; MS2; CE: 10; [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 10

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$SPLASH: splash10-000i-3900000000-8d7a601b9560efbce8b8
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  41.038577 1.940338 19
  43.054227 5.41822 54
  91.054227 4.442137 44
  93.057301 1.562842 15
  94.065126 22.757918 227
  95.072951 1.323834 13
  106.065126 1.200776 11
  107.072951 1.659657 16
  136.112076 100.000003 999
//