ACCESSION: MSBNK-EPA-ENTACT_AGILENT001648
RECORD_TITLE: 4-Methoxy-2-methylaniline; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-0fb9-9100000000-613d6fc03e8af19dc492
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  39.022927 19.715311 196
  41.038577 6.763499 67
  50.015101 8.805304 87
  51.022927 38.51611 384
  52.030752 53.224109 531
  52.07569 1.1437 11
  53.038577 19.351755 193
  54.033826 1.713778 17
  54.046402 1.462947 14
  55.017841 1.225305 12
  63.022927 8.755309 87
  65.038577 47.322711 472
  66.046402 7.237905 72
  67.054227 3.498312 34
  76.030752 3.983002 39
  77.038577 70.2625 701
  77.083515 1.289239 12
  78.046402 99.999999 999
  78.09134 2.261255 22
  79.054227 10.582147 105
  80.049476 78.91841 788
  81.057301 4.721619 47
  89.038577 3.081488 30
  90.046402 1.328568 13
  91.054227 12.941259 129
  92.049476 1.23683 12
  92.062052 1.528954 15
  93.057301 9.812409 98
  94.065126 24.135171 241
  95.072951 3.079203 30
  105.033491 1.501913 15
  106.041316 1.005931 10
  106.065126 29.118339 290
  107.072951 4.430918 44
  108.04439 31.249916 312
  108.080776 1.022084 10
  109.052215 2.30175 22
  122.06004 4.830983 48
//