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MassBank Record: JP011866

(2S,2AR,5AS)-6-TRIMETHYLSILYL-3,5-DIOXO-4-PHENYL-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: JP011866
RECORD_TITLE: (2S,2AR,5AS)-6-TRIMETHYLSILYL-3,5-DIOXO-4-PHENYL-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$NAME: (2S,2AR,5AS)-6-TRIMETHYLSILYL-3,5-DIOXO-4-PHENYL-1,2,3,4,5,6-HEXAHYDROPYRROLO(3,4-C)PYRROLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C21H24N2O2Si
CH$EXACT_MASS: 364.16070
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/C21H24N2O2Si/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/h4-13,16-19,22H,1-3H3/t16-,17-,18?,19+/m1/s1
CH$LINK: INCHIKEY VIMLDWOVFSLUBJ-VPQXAQPCSA-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$SPLASH: splash10-0006-3920000000-099a359497735e5be2f2
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  51 3.7 37
  58 2.5 25
  59 11.2 112
  64 2.3 23
  65 2.7 27
  67 6.3 63
  73 68.5 685
  74 7 70
  75 4.8 48
  77 8.9 89
  89 3.7 37
  90 4.2 42
  91 8.6 86
  100 4.4 44
  103 4.8 48
  104 6 60
  115 13.7 137
  116 5 50
  117 13.8 138
  118 5.7 57
  119 3.1 31
  127 4.3 43
  128 2.2 22
  131 5.7 57
  142 99.99 999
  143 27 270
  144 76.3 763
  145 10 100
  170 2.3 23
  174 4.3 43
  176 2.4 24
  190 5.7 57
  191 41.4 414
  192 7.8 78
  193 2.2 22
  218 2.3 23
  244 5.4 54
  246 8.4 84
  247 3 30
  273 2.2 22
  291 45 450
  292 10 100
  294 3.3 33
  295 9.6 96
  296 2.6 26
  349 6.1 61
  364 8.4 84
  365 2.4 24
//

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