ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011627
RECORD_TITLE: 1,1'-DIANTHRIMIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 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
//