ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003243
RECORD_TITLE: 4-METHYLAMINO-ANTIPYRINE; 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$NAME: 4-METHYLAMINO-ANTIPYRINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₅N₃O
CH$EXACT_MASS: 217.12151
CH$SMILES: CNC(=C(C)1)C(=O)N(c(c2)cccc2)N(C)1
CH$IUPAC: InChI=1S/C12H15N3O/c1-9-11(13-2)12(16)15(14(9)3)10-7-5-4-6-8-10/h4-8,13H,1-3H3
CH$LINK: INCHIKEY JILCEWWZTBBOFS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80199865

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$SPLASH: splash10-0aor-9140000000-9160708910f96853b852
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  42 36 360
  51 9 90
  56 99.99 999
  57 26 260
  67 4 40
  77 20 200
  83 62 620
  91 15 150
  97 12 120
  98 23 230
  119 13 130
  123 41 410
  215 23 230
  216 22 220
  217 77 770
  218 20 200
//