ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004410
RECORD_TITLE: 7-METHOXY-5-METHYL-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$NAME: 7-METHOXY-5-METHYL-1,2,3,4-TETRAHYDROPYRIMIDO(1,6-A)INDOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₆N₂O
CH$EXACT_MASS: 216.12626
CH$SMILES: COc(c3)cc(c(C)1)c(c3)n(C2)c(CCN2)1
CH$IUPAC: InChI=1S/C13H16N2O/c1-9-11-7-10(16-2)3-4-13(11)15-8-14-6-5-12(9)15/h3-4,7,14H,5-6,8H2,1-2H3
CH$LINK: INCHIKEY UUHKIIGORPPPKV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50191710

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$SPLASH: splash10-00xr-0920000000-e21722a003e38bb3d629
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  51 1 10
  55 3.2 32
  57 2.1 21
  69 0.12 1
  77 1.1 11
  81 1.3 13
  115 4.6 46
  130 0.62 6
  131 13.8 138
  143 7.9 79
  144 4.8 48
  158 0.57 6
  159 8.7 87
  172 8.1 81
  173 4.2 42
  174 99.99 999
  175 14 140
  186 6.2 62
  187 33 330
  188 0.75 8
  215 5.2 52
  216 52.5 525
//