ACCESSION: MSBNK-EPA-ENTACT_AGILENT002366
RECORD_TITLE: 4-Pentylaniline; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-01ox-9500000000-852b224d24a6a7cc86fb
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  41.038577 8.738153 87
  43.054227 69.187663 691
  55.054227 3.20169 31
  65.038577 1.856652 18
  71.085527 1.289756 12
  77.038577 5.414514 54
  79.054227 2.335069 23
  90.046402 4.930596 49
  91.054227 40.128817 400
  93.057301 3.252826 32
  94.065126 67.10816 670
  105.069877 3.905159 39
  106.065126 7.817611 78
  107.072951 13.432709 134
  120.080776 1.030182 10
  121.088601 1.033719 10
  164.143376 100.000001 999
//