MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004391

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

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004391
RECORD_TITLE: 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

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CH$NAME: 5-METHYL-1,2,3,4-TETRAHYDROPYRIMIDO(1,6-A)INDOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₄N₂
CH$EXACT_MASS: 186.11570
CH$SMILES: Cc(c21)c(c3)c(ccc3)n(CNCC2)1
CH$IUPAC: InChI=1S/C12H14N2/c1-9-10-4-2-3-5-12(10)14-8-13-7-6-11(9)14/h2-5,13H,6-8H2,1H3
CH$LINK: INCHIKEY LLVSTJSKEUSCEP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40184717

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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$SPLASH: splash10-0006-0900000000-9f8dad89d3d12d1503ac
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  51 2.5 25
  77 4.5 45
  115 3.3 33
  128 0.29 3
  143 8.7 87
  144 99.99 999
  145 6.8 68
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//