MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007928
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
//