ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003786
RECORD_TITLE: METHYL 4-ACETYLAMINOBENZOATE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: METHYL 4-ACETYLAMINOBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₁NO₃
CH$EXACT_MASS: 193.07389
CH$SMILES: COC(=O)c(c1)ccc(NC(C)=O)c1
CH$IUPAC: InChI=1S/C10H11NO3/c1-7(12)11-9-5-3-8(4-6-9)10(13)14-2/h3-6H,1-2H3,(H,11,12)
CH$LINK: INCHIKEY QKWTXJSLAZKYGV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10342009

AC$INSTRUMENT: HITACHI M-60
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-0006-0900000000-2fbbf0bbd110da33da71
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  63 0.36 4
  65 0.38 4
  89 0.18 2
  91 0.26 3
  92 0.34 3
  93 0.17 2
  95 0.13 1
  119 0.11 1
  120 2.48 25
  121 0.21 2
  146 0.14 1
  151 3.25 33
  152 0.62 6
  160 0.11 1
  162 1.68 17
  163 0.13 1
  176 0.51 5
  178 0.12 1
  179 0.1 1
  180 0.31 3
  190 0.25 3
  192 2 20
  193 11.98 120
  194 99.99 999
  195 18.67 187
  196 2.13 21
  197 0.28 3
//