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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011869

(2S,2AR,5AS,6R)-1-BENZOYL-6-TRIMETHYLSILYL-3,5-DIOXO-2,4-DIPHENYL-1,2,3,4,5,6-HEXAHYDROPYRROLO(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-JP011869
RECORD_TITLE: (2S,2AR,5AS,6R)-1-BENZOYL-6-TRIMETHYLSILYL-3,5-DIOXO-2,4-DIPHENYL-1,2,3,4,5,6-HEXAHYDROPYRROLO(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$NAME: (2S,2AR,5AS,6R)-1-BENZOYL-6-TRIMETHYLSILYL-3,5-DIOXO-2,4-DIPHENYL-1,2,3,4,5,6-HEXAHYDROPYRROLO(3,4-C)PYRROLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C28H28N2O3Si
CH$EXACT_MASS: 468.18692
CH$SMILES: c(c5)(cccc5)C(N(C3([H])c(c4)cccc4)C(C(C3([H])1)(C(N(c(c2)cccc2)C1=O)=O)[H])([Si](C)(C)C)[H])=O
CH$IUPAC: InChI=1S/C28H28N2O3Si/c1-34(2,3)28-23-22(26(32)29(27(23)33)21-17-11-6-12-18-21)24(19-13-7-4-8-14-19)30(28)25(31)20-15-9-5-10-16-20/h4-18,22-24,28H,1-3H3/t22-,23+,24-,28+/m1/s1
CH$LINK: INCHIKEY BVDBCALRFHDKGL-PVIBPIFHSA-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$SPLASH: splash10-05di-9823200000-6d6103bef954875e6e3a
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
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  469 5.5 55
//

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