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MassBank Record: MSBNK-EPA-ENTACT_AGILENT000712

N-Ethyl-3-methylaniline; ESI-QTOF; MS2; CE: 40; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-EPA-ENTACT_AGILENT000712
RECORD_TITLE: N-Ethyl-3-methylaniline; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: N-Ethyl-3-methylaniline
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H13N
CH$EXACT_MASS: 135.1047994221
CH$SMILES: CC1C=C(C=CC=1)NCC
CH$IUPAC: InChI=1S/C9H13N/c1-3-10-9-6-4-5-8(2)7-9/h4-7,10H,3H2,1-2H3
CH$LINK: CAS 102-27-2
CH$LINK: INCHIKEY GUYMMHOQXYZMJQ-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:7603

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$FOCUSED_ION: PRECURSOR_M/Z 136.1120758738
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0a4i-7900000000-c96a994434c37b2514ef
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  39.022927 2.398747 23
  42.033826 1.579032 15
  51.022927 1.786545 17
  53.038577 1.259494 12
  63.022927 1.612215 16
  65.038577 5.797423 57
  66.046402 4.598881 45
  67.041651 3.496779 34
  77.038577 16.556427 165
  78.033826 1.954914 19
  79.054227 17.444217 174
  80.049476 2.399047 23
  80.062052 1.035425 10
  89.038577 9.998545 99
  90.046402 3.529882 35
  91.054227 3.625329 36
  92.049476 2.67514 26
  93.057301 10.197067 101
  106.065126 100.000001 999
  107.072951 10.388777 103
//

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