ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006625
RECORD_TITLE: 2-(3-DIMETHYLAMINOPROPIONYL)-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$NAME: 2-(3-DIMETHYLAMINOPROPIONYL)-5,7-DIMETHYL-1,2,3,4-TETRAHYDROPYRIMIDO(1,6-A)INDOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H25N3O
CH$EXACT_MASS: 299.19976
CH$SMILES: CN(C)CCC(=O)N(C3)Cn(c(C3)1)c(c2)c(cc(C)c2)c(C)1
CH$IUPAC: InChI=1S/C18H25N3O/c1-13-5-6-17-15(11-13)14(2)16-7-10-20(12-21(16)17)18(22)8-9-19(3)4/h5-6,11H,7-10,12H2,1-4H3
CH$LINK: INCHIKEY JUGHHPWVPUEEGC-UHFFFAOYSA-N
AC$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: splash10-0a4j-7930000000-df6947e670e38520d7d7
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  58 99.99 999
  59 4 40
  69 4.5 45
  77 0.13 1
  91 1.2 12
  98 3.2 32
  115 3.5 35
  128 0.25 3
  129 4 40
  130 2.5 25
  143 2.9 29
  144 0.75 8
  157 5.1 51
  158 19.4 194
  170 6.9 69
  171 7.02 70
  172 11.9 119
  198 4 40
  199 63 630
  200 1 10
  241 9.9 99
  298 1 10
  299 45 450
//
