MassBank Record: JP011627

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1,1'-DIANTHRIMIDE; EI-B; MS
Mass Spectrum
Chemical Structure
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ACCESSION: JP011627
RECORD_TITLE: 1,1'-DIANTHRIMIDE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 1,1'-DIANTHRIMIDE CH$COMPOUND_CLASS: N/A CH$FORMULA: C28H15NO4 CH$EXACT_MASS: 429.10011 CH$SMILES: c(c1=O)(c6)c(ccc6)c(c(c2)c(c(Nc(c5)c(c4=O)c(cc5)c(=O)c(c43)cccc3)cc2)1)=O CH$IUPAC: InChI=1S/C28H15NO4/c30-25-15-7-1-3-9-17(15)27(32)23-19(25)11-5-13-21(23)29-22-14-6-12-20-24(22)28(33)18-10-4-2-8-16(18)26(20)31/h1-14,29H CH$LINK: CAS 82-22-4 CH$LINK: NIKKAJI J4.609D CH$LINK: INCHIKEY WITKIIIPSSFHST-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4058865
AC$INSTRUMENT: HITACHI M-2500 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-004i-0211900000-450cee2c478566b485ec PK$NUM_PEAK: 54 PK$PEAK: m/z int. rel.int. 51 1.18 12 63 1.14 11 75 1.61 16 76 2.41 24 77 3.69 37 104 2.18 22 105 1.94 19 139 5.24 52 140 2.42 24 145 1.06 11 150 2.6 26 151 4.89 49 152 2.83 28 157 1.25 13 158 6.55 66 159 1.38 14 164 1.23 12 166 1.02 10 167 1.46 15 168 3.1 31 180 2.05 21 195 1.39 14 196 1.76 18 208 2.26 23 214 6.18 62 215 2.12 21 223 8.48 85 224 6.69 67 225 1.02 10 240 1.77 18 296 1.81 18 314 1.99 20 315 4.74 47 316 2.35 24 317 1.12 11 324 1.35 14 328 1.38 14 343 1.81 18 344 3.32 33 345 2.06 21 356 1.73 17 371 1.35 14 372 5.67 57 373 3.6 36 384 2.5 25 400 7.24 72 401 2.5 25 412 4.97 50 413 1.63 16 426 1.18 12 428 5.99 60 429 99.99 999 430 31.98 320 431 5.68 57 //