ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011887
RECORD_TITLE: 4-AMINOHIPPURIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 4-AMINOHIPPURIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₀N₂O₃
CH$EXACT_MASS: 194.06914
CH$SMILES: OC(=O)CNC(=O)c(c1)ccc(N)c1
CH$IUPAC: InChI=1S/C9H10N2O3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5,10H2,(H,11,14)(H,12,13)
CH$LINK: CAS 61-78-9
CH$LINK: NIKKAJI J38.133K
CH$LINK: INCHIKEY HSMNQINEKMPTIC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7022590

AC$INSTRUMENT: HITACHI M-2500
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-00di-3900000000-454a970609f4250f1022
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  18 1.65 17
  28 2.17 22
  39 3.98 40
  41 1.38 14
  44 1.08 11
  45 1.34 13
  52 1.39 14
  63 2.62 26
  64 2.5 25
  65 15.83 158
  66 2.37 24
  91 2.96 30
  92 22.44 224
  93 2.4 24
  119 2.95 30
  120 99.99 999
  121 8.61 86
  149 5.92 59
  150 15.38 154
  151 1.89 19
  160 2.79 28
  161 1.93 19
  176 1.02 10
  194 24.58 246
  195 2.66 27
//