ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003242
RECORD_TITLE: AMINOPYRIN; EI-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$NAME: AMINOPYRIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₇N₃O
CH$EXACT_MASS: 231.13716
CH$SMILES: CN(C)C(=C(C)1)C(=O)N(c(c2)cccc2)N(C)1
CH$IUPAC: InChI=1S/C13H17N3O/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11/h5-9H,1-4H3
CH$LINK: INCHIKEY RMMXTBMQSGEXHJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7020504

AC$INSTRUMENT: HITACHI RMU-6E
AC$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$SPLASH: splash10-053s-9250000000-c3308b81b44067a47f7e
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  42 18 180
  51 7 70
  56 92 920
  67 11 110
  70 17 170
  77 13 130
  82 10 100
  83 10 100
  91 7 70
  97 71 710
  111 37 370
  112 20 200
  123 18 180
  216 17 170
  231 99.99 999
  232 28 280
//