ACCESSION: MSBNK-EPA-ENTACT_AGILENT000264
RECORD_TITLE: N-(3-Amino-4-methoxyphenyl)acetamide; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: N-(3-Amino-4-methoxyphenyl)acetamide
CH$NAME: DTXSID2027620
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₂N₂O₂
CH$EXACT_MASS: 180.0898776422
CH$SMILES: CC(=O)NC1=CC(N)=C(C=C1)OC
CH$IUPAC: InChI=1S/C9H12N2O2/c1-6(12)11-7-3-4-9(13-2)8(10)5-7/h3-5H,10H2,1-2H3,(H,11,12)
CH$LINK: CAS 6375-47-9
CH$LINK: INCHIKEY SJWQCBCAGCEWCV-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:80779

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$FOCUSED_ION: PRECURSOR_M/Z 181.0971540939
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0a59-9800000000-6d2aed89b356e7a901b6
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  41.038577 1.405075 14
  43.017841 14.033664 140
  51.022927 1.228788 12
  52.030752 2.420374 24
  53.038577 7.129285 71
  54.033826 1.188094 11
  63.022927 1.484714 14
  65.038577 4.099021 40
  67.054227 1.159366 11
  77.038577 3.70028 36
  78.033826 1.255834 12
  79.041651 9.298533 92
  80.049476 60.430199 603
  80.083181 1.26175 12
  81.033491 3.809739 38
  81.057301 17.327464 173
  90.033826 1.390209 13
  91.041651 1.771837 17
  92.049476 2.802595 27
  93.057301 1.516723 15
  94.065126 1.912633 19
  95.049141 5.290145 52
  95.060375 17.905183 178
  96.0682 7.767846 77
  97.052215 1.340866 13
  107.036565 1.876562 18
  107.060375 36.506528 364
  108.04439 4.438556 44
  108.0682 99.999995 999
  109.052215 2.771864 27
  122.06004 2.828124 28
  123.055289 5.333233 53
  124.063114 11.641484 116
//