MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004404
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004404
RECORD_TITLE: 5,7-DIMETHYL-1,2,3,4-TETRAHYDROPYRIMIDO(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$NAME: 5,7-DIMETHYL-1,2,3,4-TETRAHYDROPYRIMIDO(1,6-A)INDOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H16N2
CH$EXACT_MASS: 200.13135
CH$SMILES: Cc(c3)cc(c(C)1)c(c3)n(C2)c(CCN2)1
CH$IUPAC: InChI=1S/C13H16N2/c1-9-3-4-13-11(7-9)10(2)12-5-6-14-8-15(12)13/h3-4,7,14H,5-6,8H2,1-2H3
CH$LINK: INCHIKEY
RHOWSXIKPLWSFK-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID40191709
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$SPLASH: splash10-0a4i-0920000000-ece2a0aeaca455cbd6b4
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
51 1.2 12
77 2.1 21
115 4.5 45
128 0.11 1
130 1 10
143 7.8 78
156 6.7 67
157 0.68 7
158 99.99 999
159 10.2 102
170 5.6 56
171 3.4 34
199 1.9 19
200 36 360
//