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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011867

(2AR,5AS)-3,5-DIOXO-2,4-DIPHENYL-3,4,5,6-TETRAHYDROPYRROLO(3,4-C)PYRROLE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011867
RECORD_TITLE: (2AR,5AS)-3,5-DIOXO-2,4-DIPHENYL-3,4,5,6-TETRAHYDROPYRROLO(3,4-C)PYRROLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YOSHIKI O, FAC, TECHNOLOGY, OSAKA UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: (2AR,5AS)-3,5-DIOXO-2,4-DIPHENYL-3,4,5,6-TETRAHYDROPYRROLO(3,4-C)PYRROLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H14N2O2
CH$EXACT_MASS: 290.10553
CH$SMILES: c(c4)ccc(c4)C(=N3)C([H])(C(=O)1)C([H])(C3)C(=O)N(c(c2)cccc2)1
CH$IUPAC: InChI=1S/C18H14N2O2/c21-17-14-11-19-16(12-7-3-1-4-8-12)15(14)18(22)20(17)13-9-5-2-6-10-13/h1-10,14-15H,11H2/t14-,15-/m1/s1
CH$LINK: INCHIKEY HLWUBVVHVMJKTP-HUUCEWRRSA-N

AC$INSTRUMENT: Unknown
AC$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$SPLASH: splash10-014l-9830000000-f8e87a6f2d5ed3b72673
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  50 8.1 81
  51 24.4 244
  52 5.9 59
  54 4.9 49
  55 2.8 28
  62 3.7 37
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  77 39.7 397
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  89 13.5 135
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  91 15.7 157
  93 2 20
  103 6.7 67
  104 7.3 73
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  117 99.99 999
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  130 3.7 37
  142 4.8 48
  143 35.1 351
  144 4.5 45
  159 2.3 23
  170 6.9 69
  171 2.1 21
  187 3.2 32
  290 91.5 915
  291 19.7 197
  292 2.3 23
//

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