MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004414

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

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004414
RECORD_TITLE: 5,7-DIMETHYL-1,2,3,4-TETRAHYDROPYRIMIDO(1,6-A)INDOLE-2-CARBALDEHYDE; 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$NAME: 5,7-DIMETHYL-1,2,3,4-TETRAHYDROPYRIMIDO(1,6-A)INDOLE-2-CARBALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₆N₂O
CH$EXACT_MASS: 228.12626
CH$SMILES: O=CN(C3)Cn(c(C3)1)c(c2)c(cc(C)c2)c(C)1
CH$IUPAC: InChI=1S/C14H16N2O/c1-10-3-4-14-12(7-10)11(2)13-5-6-15(9-17)8-16(13)14/h3-4,7,9H,5-6,8H2,1-2H3
CH$LINK: INCHIKEY XBHLAZQVTHHMTM-UHFFFAOYSA-N

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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$SPLASH: splash10-0a6r-2950000000-307e831e7d16176d87a6
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  55 8.8 88
  57 13.4 134
  69 17.1 171
  81 0.57 6
  115 5.2 52
  143 6.4 64
  156 6.1 61
  157 0.48 5
  158 99.99 999
  159 4.9 49
  170 8.2 82
  171 7.02 70
  172 4.5 45
  199 1.9 19
  227 3 30
  228 93 930
//