ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002001
RECORD_TITLE: 5-METHYLPYRIMIDO(3,4-A)INDOLE; 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$NAME: 5-METHYLPYRIMIDO(3,4-A)INDOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₀N₂
CH$EXACT_MASS: 182.08440
CH$SMILES: Cc(c21)c(c3)c(ccc3)n(C=NC=C2)1
CH$IUPAC: InChI=1S/C12H10N2/c1-9-10-4-2-3-5-12(10)14-8-13-7-6-11(9)14/h2-8H,1H3
CH$LINK: INCHIKEY FSBSZPYLKPMNDC-UHFFFAOYSA-N

AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-001i-1900000000-3062caa429470a3934ab
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  51 8.2 82
  77 12.8 128
  91 3.2 32
  102 0.31 3
  127 7.8 78
  128 7.6 76
  153 1.5 15
  154 0.88 9
  180 7.7 77
  181 99.99 999
  182 79.5 795
//