ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006657
RECORD_TITLE: 3,5-DINITRO-N-(1-METHYL-3-(1,2,3,4-TETRAHYDRO-9-CARBAZOLYL)PROPYL)BENZAMIDE; 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$NAME: 3,5-DINITRO-N-(1-METHYL-3-(1,2,3,4-TETRAHYDRO-9-CARBAZOLYL)PROPYL)BENZAMIDE
CH$NAME: 9-(3-(3,5-DINITROBENZAMIDO)BUTYL)-1,2,3,4-TETRAHYDROCARBAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C23H24N4O5
CH$EXACT_MASS: 436.17467
CH$SMILES: CC(NC(=O)c(c4)cc([N+1]([O-1])=O)cc([N+1]([O-1])=O)4)CCn(c21)c(c3)c(ccc3)c(CCCC2)1
CH$IUPAC: InChI=1S/C23H24N4O5/c1-15(24-23(28)16-12-17(26(29)30)14-18(13-16)27(31)32)10-11-25-21-8-4-2-6-19(21)20-7-3-5-9-22(20)25/h2,4,6,8,12-15H,3,5,7,9-11H2,1H3,(H,24,28)
CH$LINK: INCHIKEY WVKLWVIKXMBKEJ-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$SPLASH: splash10-0019-0900600000-47dbce8c4d59ec9b452c
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  75 5.9 59
  143 9.2 92
  156 9.7 97
  157 0.48 5
  167 5.1 51
  168 8.2 82
  169 3.6 36
  170 1.28 13
  171 5.9 59
  184 84.8 848
  185 21.6 216
  195 0.52 5
  212 2.2 22
  218 5.6 56
  419 5.3 53
  436 99.99 999
//
