ACCESSION: MSBNK-EPA-ENTACT_AGILENT000311
RECORD_TITLE: 2-Ethylaniline; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 2-Ethylaniline
CH$NAME: DTXSID0042242
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₁N
CH$EXACT_MASS: 121.0891493583
CH$SMILES: CCC1C=CC=CC=1N
CH$IUPAC: InChI=1S/C8H11N/c1-2-7-5-3-4-6-8(7)9/h3-6H,2,9H2,1H3
CH$LINK: CAS 578-54-1
CH$LINK: INCHIKEY MLPVBIWIRCKMJV-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:11357

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$FOCUSED_ION: PRECURSOR_M/Z 122.09642581
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0fb9-9000000000-94800b6e2a1497e7934a
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  39.022927 6.155462 61
  40.030752 1.518737 15
  41.038577 2.309463 23
  50.015101 1.7473 17
  51.022927 73.43625 733
  53.038577 1.724316 17
  64.030752 1.715377 17
  65.038577 6.80741 68
  66.046402 5.40148 53
  67.041651 1.861858 18
  77.038577 99.999997 999
  78.033826 1.723784 17
  78.046402 1.097756 10
  79.054227 10.418434 104
  89.038577 2.45326 24
  91.054227 1.112341 11
  92.049476 3.792692 37
  93.057301 8.374748 83
  103.054227 4.067344 40
  106.065126 5.673853 56
//