MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006658
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006658
RECORD_TITLE: ETHYL 1-(3-(3,5-DINITROBENZAMIDO)BUTYL)-2-METHYLINDOLE-3-CARBOXYLATE; 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$NAME: ETHYL 1-(3-(3,5-DINITROBENZAMIDO)BUTYL)-2-METHYLINDOLE-3-CARBOXYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C23H24N4O7
CH$EXACT_MASS: 468.16450
CH$SMILES: CCOC(=O)c(c(C)1)c(c3)c(ccc3)n(CCC(C)NC(=O)c(c2)cc([N+1]([O-1])=O)cc([N+1]([O-1])=O)2)1
CH$IUPAC: InChI=1S/C23H24N4O7/c1-4-34-23(29)21-15(3)25(20-8-6-5-7-19(20)21)10-9-14(2)24-22(28)16-11-17(26(30)31)13-18(12-16)27(32)33/h5-8,11-14H,4,9-10H2,1-3H3,(H,24,28)
CH$LINK: INCHIKEY
FTPMDKWLUGCFND-UHFFFAOYSA-N
AC$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: splash10-00xr-1910300000-8c90d8f6bc48aafb36d2
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
55 8.3 83
75 14 140
77 14.3 143
103 0.69 7
105 37.4 374
115 6.6 66
122 15.2 152
144 4.29 43
157 8.3 83
158 17.8 178
171 98.3 983
172 1.1 11
184 15.9 159
188 22.6 226
195 20.9 209
198 0.43 4
203 7.1 71
216 10.1 101
217 8.8 88
220 0.43 4
230 9.3 93
266 7.2 72
405 6.4 64
423 0.98 10
468 99.99 999
//