ACCESSION: MSBNK-EPA-ENTACT_AGILENT002365
RECORD_TITLE: 4-Pentylaniline; ESI-QTOF; MS2; CE: 10; [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 10

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$SPLASH: splash10-03di-0900000000-068e4f42b0ec1b5f2b99
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  43.054227 3.850089 38
  91.054227 1.413109 14
  94.065126 5.643346 56
  164.143376 100.000001 999
//