ACCESSION: MSBNK-EPA-ENTACT_AGILENT001647
RECORD_TITLE: 4-Methoxy-2-methylaniline; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 4-Methoxy-2-methylaniline
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₁NO
CH$EXACT_MASS: 137.0840639806
CH$SMILES: CC1C=C(C=CC=1N)OC
CH$IUPAC: InChI=1S/C8H11NO/c1-6-5-7(10-2)3-4-8(6)9/h3-5H,9H2,1-2H3
CH$LINK: CAS 102-50-1
CH$LINK: INCHIKEY CDGNLUSBENXDGG-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:7610

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$FOCUSED_ION: PRECURSOR_M/Z 138.0913404323
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0ab9-4900000000-3563473fddd25b9c50ea
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  51.022927 2.291075 22
  52.030752 1.026377 10
  55.017841 1.744274 17
  65.038577 10.775822 107
  77.038577 27.852115 278
  78.046402 21.099333 210
  79.017841 1.238476 12
  79.054227 8.261236 82
  80.049476 6.979223 69
  91.054227 38.759783 387
  92.062052 3.420597 34
  93.057301 5.009071 50
  94.065126 18.085752 180
  95.072951 14.428796 144
  105.033491 1.035416 10
  106.041316 5.27004 52
  106.065126 30.060853 300
  107.072951 49.304829 492
  108.04439 63.928108 638
  108.080776 8.021236 80
  109.052215 4.944116 49
  121.064791 20.581015 205
  122.06004 13.389574 133
  123.067865 99.999995 999
  124.07569 8.123694 81
  137.083515 2.595989 25
  138.09134 31.154978 311
//