ACCESSION: MSBNK-EPA-ENTACT_AGILENT002367
RECORD_TITLE: 4-Pentylaniline; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 4-Pentylaniline
CH$NAME: DTXSID0040707
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₇N
CH$EXACT_MASS: 163.1360995497
CH$SMILES: CCCCCC1C=CC(N)=CC=1
CH$IUPAC: InChI=1S/C11H17N/c1-2-3-4-5-10-6-8-11(12)9-7-10/h6-9H,2-5,12H2,1H3
CH$LINK: CAS 33228-44-3
CH$LINK: INCHIKEY DGFTWBUZRHAHTH-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:93162

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$FOCUSED_ION: PRECURSOR_M/Z 164.1433760014
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0006-9100000000-a4188b6bb1d4b20e3497
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  39.022927 8.809083 88
  41.038577 36.338809 363
  43.054227 28.630922 286
  51.022927 8.773774 87
  53.038577 1.616984 16
  55.054227 1.727011 17
  63.022927 5.382094 53
  64.030752 1.141677 11
  65.038577 100.000001 999
  77.038577 37.199127 371
  78.046402 3.427578 34
  79.054227 7.765329 77
  89.038577 26.446062 264
  90.046402 71.976384 719
  91.054227 92.336663 922
  93.057301 6.612402 66
  94.065126 6.266551 62
  103.054227 5.11316 51
  104.062052 3.506539 35
  106.065126 39.603475 395
  107.072951 2.629747 26
  115.054227 1.26703 12
  117.069877 1.053268 10
  120.080776 2.430637 24
//