MassBank MassBank Search Contents Download

MassBank Record: 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: 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.
  51 6.8 68
  59 3.5 35
  73 68.5 685
  74 6.6 66
  75 8.4 84
  77 53.5 535
  78 4.8 48
  90 3.1 31
  91 3.8 38
  103 6.8 68
  104 6.4 64
  105 99.99 999
  106 7.9 79
  115 4.3 43
  117 3.2 32
  128 6.7 67
  131 4.4 44
  163 3.7 37
  177 4.3 43
  178 4.5 45
  205 3.1 31
  206 3.9 39
  246 22.7 227
  247 4.8 48
  248 4.4 44
  321 6 60
  378 41.2 412
  379 10.9 109
  380 10.6 106
  453 19.1 191
  454 7.5 75
  467 10.4 104
  468 10.3 103
  469 5.5 55
//

Imprint Feedback
system version 2.1.8
Copyright © 2006 MassBank Project; 2011 NORMAN Association; 2021 MassBank Consortium
Responsible: Dr. Tobias Schulze