ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007928
RECORD_TITLE: 6,6'-DIBROMOINDIGOTIN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUJISE Y, HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA

CH$NAME: 6,6'-DIBROMOINDIGOTIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₈Br₂N₂O₂
CH$EXACT_MASS: 417.89525
CH$SMILES: C1=CC2=C(C=C1Br)N/C(=C/3\C(=O)C4=C(N3)C=C(C=C4)Br)/C2=O
CH$IUPAC: InChI=1S/C16H8Br2N2O2/c17-7-1-3-9-11(5-7)19-13(15(9)21)14-16(22)10-4-2-8(18)6-12(10)20-14/h1-6,19-20H/b14-13+
CH$LINK: INCHIKEY ZVAPIIDBWWULJN-BUHFOSPRSA-N

AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-00di-5420900000-7e438692bf90f2856af2
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  73 70.69 707
  74 13.14 131
  75 34.81 348
  76 9.59 96
  88 6.57 66
  102 6.74 67
  103 7.1 71
  154 8.88 89
  155 6.03 60
  156 8.52 85
  157 6.92 69
  177 6.74 67
  182 24.33 243
  183 6.92 69
  184 22.38 224
  204 7.99 80
  210 7.1 71
  211 8.34 83
  235 5.68 57
  236 6.21 62
  237 6.39 64
  239 6.21 62
  283 9.05 91
  285 11.19 112
  313 8.34 83
  390 6.92 69
  392 9.05 91
  418 47.95 480
  419 9.76 98
  420 99.99 999
  421 17.58 176
  422 50.26 503
  423 9.59 96
//