ACCESSION: MSBNK-EPA-ENTACT_AGILENT000498
RECORD_TITLE: 3-[Ethyl(phenyl)amino]propanenitrile; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 3-[Ethyl(phenyl)amino]propanenitrile
CH$NAME: DTXSID4044587
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₄N₂
CH$EXACT_MASS: 174.1156984614
CH$SMILES: CCN(CCC#N)C1C=CC=CC=1
CH$IUPAC: InChI=1S/C11H14N2/c1-2-13(10-6-9-12)11-7-4-3-5-8-11/h3-5,7-8H,2,6,10H2,1H3
CH$LINK: CAS 148-87-8
CH$LINK: INCHIKEY WYRNRZQRKCXPLA-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:8995

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$FOCUSED_ION: PRECURSOR_M/Z 175.1229749131
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0a6r-6900000000-b0c0a5730809e13c9e54
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  42.033826 1.510707 15
  51.022927 3.829343 38
  70.065126 1.044414 10
  77.038577 39.551432 395
  78.046402 5.28286 52
  79.054227 13.245828 132
  80.049476 1.019902 10
  90.046402 1.074539 10
  93.057301 3.50616 35
  106.065126 99.999996 999
  118.065126 1.849158 18
//