MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004398
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004398
RECORD_TITLE: 5,7-DIMETHYLPYRIMIDO(1,6-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$NAME: 5,7-DIMETHYLPYRIMIDO(1,6-A)INDOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H12N2
CH$EXACT_MASS: 196.10005
CH$SMILES: Cc(c3)cc(c(C)1)c(c3)n(C=2)c(C=CN2)1
CH$IUPAC: InChI=1S/C13H12N2/c1-9-3-4-13-11(7-9)10(2)12-5-6-14-8-15(12)13/h3-8H,1-2H3
CH$LINK: INCHIKEY
AWVNMLAXOCCOIM-UHFFFAOYSA-N
AC$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: splash10-0002-0900000000-8bb3c9e316d065439956
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
51 3.5 35
77 3.5 35
91 1.2 12
105 0.11 1
115 3.2 32
127 5.1 51
128 1.2 12
167 0.1 1
168 2.5 25
195 99.99 999
196 87.5 875
//