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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007255

(4R)-1-ACETOXY-4-(TERT-BUTYLDIMETHYLSILYLOXY)-5-PIVALOYLOXYHEXENE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007255
RECORD_TITLE: (4R)-1-ACETOXY-4-(TERT-BUTYLDIMETHYLSILYLOXY)-5-PIVALOYLOXYHEXENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: ITO S, DEPT. OF CHEM., TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: (4R)-1-ACETOXY-4-(TERT-BUTYLDIMETHYLSILYLOXY)-5-PIVALOYLOXYHEXENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H36O5Si
CH$EXACT_MASS: 372.23320
CH$SMILES: CC(=O)OC=CCC([H])(C(C)OC(=O)C(C)(C)C)O[Si](C)(C)C(C)(C)C
CH$IUPAC: InChI=1S/C19H36O5Si/c1-14(23-17(21)18(3,4)5)16(12-11-13-22-15(2)20)24-25(9,10)19(6,7)8/h11,13-14,16H,12H2,1-10H3/b13-11-/t14?,16-/m1/s1
CH$LINK: INCHIKEY XVTNRFPREODEJE-WXMOLBAOSA-N

AC$INSTRUMENT: HITACHI M-52
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 25 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-05fr-3900000000-f6d071fc05c3b8c6ca18
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  43 7.2 72
  57 40.7 407
  58 2.7 27
  73 0.89 9
  75 4.1 41
  79 3.5 35
  86 14.5 145
  97 1.11 11
  115 14.3 143
  117 3.4 34
  159 38.9 389
  160 0.51 5
  161 2.3 23
  171 99.99 999
  172 15.7 157
  173 0.62 6
  201 2.2 22
  213 11.2 112
  214 2 20
  273 0.25 3
  315 5.3 53
  316 1.5 15
  317 0.6 6
//

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