MassBank Record: JP006643



 N-(3-(2,3-DIMETHYL-1-INDOLYL)-2-METHYLPROPYL)-3,5-DINITROBENZAMIDE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP006643
RECORD_TITLE: N-(3-(2,3-DIMETHYL-1-INDOLYL)-2-METHYLPROPYL)-3,5-DINITROBENZAMIDE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: SASAKI STOYOHASHI UNIV. OF TECH., TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: N-(3-(2,3-DIMETHYL-1-INDOLYL)-2-METHYLPROPYL)-3,5-DINITROBENZAMIDE CH$NAME: 1-(3-(3,5-DINITROBENZAMIDO)-2-METHYLPROPYL)-2,3-DIMETYLINDOLE CH$COMPOUND_CLASS: N/A CH$FORMULA: C21H22N4O5 CH$EXACT_MASS: 410.15902 CH$SMILES: [O-1][N+1](=O)c(c1)cc(C(=O)NCC(C)Cn(c(C)2)c(c3)c(ccc3)c(C)2)cc([N+1]([O-1])=O)1 CH$IUPAC: InChI=1S/C21H22N4O5/c1-13(12-23-15(3)14(2)19-6-4-5-7-20(19)23)11-22-21(26)16-8-17(24(27)28)10-18(9-16)25(29)30/h4-10,13H,11-12H2,1-3H3,(H,22,26) CH$LINK: INCHIKEY LLYAIVBRRNJHHE-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$SPLASH: splash10-0bt9-0900500000-99bdf15e7ded3f4bb22c PK$NUM_PEAK: 11 PK$PEAK: m/z int. rel.int. 75 1.2 12 77 2.1 21 78 1.3 13 115 0.1 1 130 1.5 15 143 6.4 64 144 9.9 99 145 0.69 7 158 99.99 999 159 21.2 212 410 90 900 //

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