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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011870

(2AR,5AR,6S)-6-TRIMETHYLSILYL-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-JP011870
RECORD_TITLE: (2AR,5AR,6S)-6-TRIMETHYLSILYL-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$NAME: (2AR,5AR,6S)-6-TRIMETHYLSILYL-3,5-DIOXO-2,4-DIPHENYL-3,4,5,6-TETRAHYDROPYRROLO(3,4-C)PYRROLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C21H22N2O2Si
CH$EXACT_MASS: 362.14505
CH$SMILES: c(c4)ccc(c4)N(C(=O)1)C(=O)C([H])(C([H])([Si](C)(C)C)2)C([H])1C(c(c3)cccc3)=N2
CH$IUPAC: InChI=1S/C21H22N2O2Si/c1-26(2,3)19-17-16(18(22-19)14-10-6-4-7-11-14)20(24)23(21(17)25)15-12-8-5-9-13-15/h4-13,16-17,19H,1-3H3/t16-,17+,19+/m1/s1
CH$LINK: INCHIKEY NMQPRLMQDAJJKZ-AOIWGVFYSA-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$SPLASH: splash10-0229-9445000000-6462ceca91ff58192536
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  51 6.6 66
  52 3.4 34
  63 3.7 37
  64 3.1 31
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  103 4.3 43
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  105 11.2 112
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  117 17.3 173
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  130 14.2 142
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  142 7 70
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  349 4.1 41
  361 8.2 82
  362 27.7 277
  363 28.5 285
  364 8.9 89
//

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