ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011821
RECORD_TITLE: (E)-(2R,3S)-2-((1'S)-1'-TERT-BUTYLDIMETHYLSILOXYETHYL)-3-(N-BENZYL-TERT-BUTYLOXYCABONYLAMINO)-5-PHENYL-4-PENTENAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YOSHINORI Y, FAC. SCIENCE, TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: (E)-(2R,3S)-2-((1'S)-1'-TERT-BUTYLDIMETHYLSILOXYETHYL)-3-(N-BENZYL-TERT-BUTYLOXYCABONYLAMINO)-5-PHENYL-4-PENTENAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃₁H₄₅NO₄Si
CH$EXACT_MASS: 523.31179
CH$SMILES: C([H])(C(N(Cc(c2)cccc2)C(OC(C)(C)C)=O)(C(C=O)([H])C(O[Si](C(C)(C)C)(C)C)([H])C)[H])=C(c(c1)cccc1)[H]
CH$IUPAC: InChI=1S/C31H45NO4Si/c1-24(36-37(8,9)31(5,6)7)27(23-33)28(21-20-25-16-12-10-13-17-25)32(29(34)35-30(2,3)4)22-26-18-14-11-15-19-26/h10-21,23-24,27-28H,22H2,1-9H3/b21-20+/t24-,27-,28+/m0/s1
CH$LINK: INCHIKEY VZNZSBRDDIDWSF-WFZVLGQDSA-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 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-03di-0000910000-762f0b5e7a092fa0feed
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  344 1.8 18
  366 6.2 62
  367 1.2 12
  390 2.2 22
  391 3.3 33
  405 30.4 304
  406 10.3 103
  407 2.8 28
  410 99.99 999
  411 34 340
  412 11.4 114
  413 2.4 24
  423 3.2 32
  450 3.8 38
  452 4.5 45
  456 2.8 28
  467 4.3 43
  523 19.6 196
  524 8.4 84
  525 2.2 22
//