ACCESSION: MSBNK-EPA-ENTACT_AGILENT000312
RECORD_TITLE: 2-Ethylaniline; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-004l-9500000000-f8497959a42a1eb7d465
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  51.022927 8.05999 80
  52.018175 1.402811 14
  56.049476 1.101647 11
  65.038577 1.90005 18
  66.046402 3.566931 35
  77.038577 99.999999 999
  79.054227 45.313387 452
  93.057301 50.039587 499
  94.065126 39.58423 395
  103.054227 28.066992 280
  105.069877 52.746359 526
  106.065126 17.043145 170
  120.080776 13.029026 130
  122.096426 30.542563 305
//