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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007478

4-METHYL-2-PENTENOIC ACID TRIMETHYLSILYL ESTER; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007478
RECORD_TITLE: 4-METHYL-2-PENTENOIC ACID TRIMETHYLSILYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: 4-METHYL-2-PENTENOIC ACID TRIMETHYLSILYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H18O2Si
CH$EXACT_MASS: 186.10761
CH$SMILES: CC(C)C=CC(=O)O[Si](C)(C)C
CH$IUPAC: InChI=1S/C9H18O2Si/c1-8(2)6-7-9(10)11-12(3,4)5/h6-8H,1-5H3/b7-6+
CH$LINK: INCHIKEY WDZGZGHIOXHTBN-VOTSOKGWSA-N

AC$INSTRUMENT: JEOL JMS-01-SG
AC$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$SPLASH: splash10-00fr-9400000000-3e5b62441a563c7c9156
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
  40 0.9 9
  41 0.9 9
  43 3.7 37
  44 0.42 4
  45 10.4 104
  47 7.1 71
  51 2.3 23
  53 0.52 5
  54 2.8 28
  55 3.7 37
  59 3.7 37
  61 0.42 4
  67 3.3 33
  68 3.3 33
  69 3.7 37
  72 0.09 1
  73 61.1 611
  74 7.5 75
  75 99.99 999
  76 0.66 7
  77 3.3 33
  79 1.4 14
  81 10.9 109
  82 0.18 2
  85 4.7 47
  95 2.3 23
  96 34.1 341
  97 1.89 19
  98 0.9 9
  99 8 80
  101 0.9 9
  111 0.28 3
  116 1.8 18
  117 0.9 9
  125 3.7 37
  126 0.52 5
  127 12.7 127
  128 1.4 14
  129 3.7 37
  131 0.33 3
  141 1.8 18
  143 8.5 85
  144 0.9 9
  153 0.14 1
  155 2.3 23
  170 9 90
  171 73.9 739
  172 0.99 10
  173 2.8 28
  186 14.2 142
  187 0.9 9
//

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