MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004404

5,7-DIMETHYL-1,2,3,4-TETRAHYDROPYRIMIDO(1,6-A)INDOLE; EI-B; MS

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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

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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

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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

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MS$FOCUSED_ION: ION_TYPE [M]+*

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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
//