MassBank Record: MSBNK-EPA-ENTACT_AGILENT000130

4-Hexylaniline; ESI-QTOF; MS2; CE: 10; [M+H]+

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ACCESSION: MSBNK-EPA-ENTACT_AGILENT000130
RECORD_TITLE: 4-Hexylaniline; ESI-QTOF; MS2; CE: 10; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

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CH$NAME: 4-Hexylaniline
CH$NAME: DTXSID5040708
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₉N
CH$EXACT_MASS: 177.1517496135
CH$SMILES: CCCCCCC1C=CC(N)=CC=1
CH$IUPAC: InChI=1S/C12H19N/c1-2-3-4-5-6-11-7-9-12(13)10-8-11/h7-10H,2-6,13H2,1H3
CH$LINK: CAS 33228-45-4
CH$LINK: INCHIKEY OVEMTTZEBOCJDV-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:36382

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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

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MS$FOCUSED_ION: PRECURSOR_M/Z 178.1590260652
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

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PK$SPLASH: splash10-004i-1900000000-8cd8fab4b8d67aae0a96
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  43.054227 4.076913 40
  91.054227 1.050493 10
  94.065126 8.831798 88
  178.159026 100.000002 999
//