ACCESSION: MSBNK-EPA-ENTACT_AGILENT000263
RECORD_TITLE: N-(3-Amino-4-methoxyphenyl)acetamide; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-0a4i-0900000000-c1c1e0d5d6c03c77c9f6
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  42.033826 1.144044 11
  43.017841 5.860226 58
  77.038577 3.018733 30
  80.049476 13.288425 132
  92.049476 1.519083 15
  94.065126 5.361741 53
  95.049141 1.89127 18
  95.060375 1.617731 16
  96.0682 2.118014 21
  107.060375 88.715185 886
  108.04439 30.54447 305
  108.0682 100.000004 999
  109.052215 6.164079 61
  109.076025 1.513053 15
  112.07569 1.652664 16
  122.06004 17.319239 173
  123.044056 1.908927 19
  123.055289 2.247819 22
  123.067865 1.948305 19
  124.063114 41.397333 413
  125.04713 1.949982 19
  138.078764 1.540823 15
  139.086589 89.931445 898
  140.070605 17.537277 175
  150.078764 2.779431 27
  163.086589 5.28748 52
  166.073679 6.707313 67
  181.097154 9.241892 92
//