ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006655
RECORD_TITLE: 2-(3-DIPROPYLAMINOPROPIONYL)-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$NAME: 2-(3-DIPROPYLAMINOPROPIONYL)-5,7-DIMETHYL-1,2,3,4-TETRAHYDROPYRIMIDO(1,6-A)INDOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C22H33N3O
CH$EXACT_MASS: 355.26236
CH$SMILES: CCCN(CCC)CCC(=O)N(C3)Cn(c(C3)1)c(c2)c(cc(C)c2)c(C)1
CH$IUPAC: InChI=1S/C22H33N3O/c1-5-11-23(12-6-2)13-10-22(26)24-14-9-20-18(4)19-15-17(3)7-8-21(19)25(20)16-24/h7-8,15H,5-6,9-14,16H2,1-4H3
CH$LINK: INCHIKEY FQJNJNDRZMPWHW-UHFFFAOYSA-N
AC$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-1913000000-5913dc44f7b7a8791d2c
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  58 20 200
  69 10.2 102
  72 4 40
  86 6.75 68
  87 6.7 67
  100 10.2 102
  101 12.2 122
  114 9.22 92
  115 7.8 78
  127 2.5 25
  128 6.1 61
  129 0.31 3
  143 7.1 71
  144 6.8 68
  156 5.2 52
  157 0.45 5
  158 25.5 255
  159 3.5 35
  171 27.5 275
  198 1 10
  199 99.99 999
  200 15.2 152
  241 10 100
  326 1.81 18
  327 7 70
  354 1 10
  355 75 750
//
