ACCESSION: MSBNK-EPA-ENTACT_AGILENT000132
RECORD_TITLE: 4-Hexylaniline; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

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

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

PK$SPLASH: splash10-0006-9100000000-b2eae04ab227db299b69
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  29.038577 1.847366 18
  39.022927 7.36769 73
  41.038577 50.385927 503
  43.054227 43.591709 435
  50.015101 1.192161 11
  51.022927 3.810494 38
  55.054227 3.3992 33
  57.069877 1.012513 10
  63.022927 1.793707 17
  65.038577 71.277945 712
  66.046402 3.022805 30
  77.038577 55.753519 556
  78.046402 2.690791 26
  79.054227 7.809826 78
  89.038577 21.258289 212
  90.046402 54.204906 541
  91.054227 99.999997 999
  92.049476 1.366364 13
  93.057301 10.930716 109
  94.065126 11.625178 116
  103.054227 12.486101 124
  104.062052 3.798042 37
  105.069877 2.160434 21
  106.065126 43.13475 430
  107.072951 7.21592 72
  120.080776 4.459697 44
//