ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005051
RECORD_TITLE: 2-(3-CHLOROPROPIONYL)-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$NAME: 2-(3-CHLOROPROPIONYL)-5,7-DIMETHYL-1,2,3,4-TETRAHYDROPYRIMIDO(1,6-A)INDOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H19ClN2O
CH$EXACT_MASS: 290.11859
CH$SMILES: ClCCC(=O)N(C3)Cn(c(C3)1)c(c2)c(cc(C)c2)c(C)1
CH$IUPAC: InChI=1S/C16H19ClN2O/c1-11-3-4-15-13(9-11)12(2)14-6-8-18(10-19(14)15)16(20)5-7-17/h3-4,9H,5-8,10H2,1-2H3
CH$LINK: INCHIKEY KGCZWXYHBBNEQQ-UHFFFAOYSA-N
AC$INSTRUMENT: Unknown
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: splash10-0a4i-0920000000-34db39a9a686e6fa722e
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  43 3.4 34
  55 2.1 21
  58 1.3 13
  63 0.44 4
  65 1.2 12
  69 2.4 24
  77 2.4 24
  91 0.1 1
  115 2.8 28
  128 3.2 32
  130 2.9 29
  142 0.17 2
  143 5 50
  144 38.3 383
  145 4.1 41
  156 1.11 11
  157 99.99 999
  158 12.1 121
  185 6 60
  186 0.14 1
  276 37.4 374
  277 6.2 62
  278 11.5 115
//
