ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003819
RECORD_TITLE: 4-(ACETYLAMINO)ANTIPYRINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA
CH$NAME: 4-(ACETYLAMINO)ANTIPYRINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H15N3O2
CH$EXACT_MASS: 245.11643
CH$SMILES: CC(=O)NC(=C(C)1)C(=O)N(c(c2)cccc2)N(C)1
CH$IUPAC: InChI=1S/C13H15N3O2/c1-9-12(14-10(2)17)13(18)16(15(9)3)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,14,17)
CH$LINK: INCHIKEY OIAGWXKSCXPNNZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40232106
AC$INSTRUMENT: Unknown
AC$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$SPLASH: splash10-0a59-9030000000-6294a9c16bbcebf441a7
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  39 2.9 29
  41 2.9 29
  42 10.9 109
  43 1.99 20
  44 2.9 29
  52 1.9 19
  53 1.9 19
  54 0.39 4
  55 4.9 49
  56 99.99 999
  57 26.9 269
  58 0.39 4
  77 7.9 79
  83 25.9 259
  84 50.9 509
  91 0.49 5
  92 2.9 29
  93 3.9 39
  119 2.4 24
  202 0.79 8
  203 26.9 269
  204 5.9 59
  245 48.9 489
  246 0.89 9
  247 0.9 9
//
