ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001871
RECORD_TITLE: METHYL 2-TRIMETHYLSILOXYTRICOSANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SEYAMA Y, DEPT. OF PHYSIOL. CHEMISTRY AND NUTRITION, FAC. OF MEDICINE, UNIV. OF TOKYO
LICENSE: CC BY-NC-SA

CH$NAME: METHYL 2-TRIMETHYLSILOXYTRICOSANOATE
CH$NAME: METHYL (O-TRIMETHYLSILYL)-ALPHA-HYDROXYTRICOSANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₇H₅₆O₃Si
CH$EXACT_MASS: 456.39987
CH$SMILES: CCCCCCCCCCCCCCCCCCCCCC(C(=O)OC)O[Si](C)(C)C
CH$IUPAC: InChI=1S/C27H56O3Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27(28)29-2)30-31(3,4)5/h26H,6-25H2,1-5H3
CH$LINK: INCHIKEY GRADXVJUAVCNHF-UHFFFAOYSA-N

AC$INSTRUMENT: SHIMADZU LKB-9000B
AC$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$SPLASH: splash10-0002-9203100000-10a214409049cff6705c
PK$NUM_PEAK: 71
PK$PEAK: m/z int. rel.int.
  41 10.2 102
  42 2.5 25
  43 26.7 267
  45 2.1 21
  54 1.6 16
  55 13.5 135
  56 2.7 27
  57 23.5 235
  58 1.5 15
  59 6.7 67
  61 1.6 16
  67 5.1 51
  68 2.6 26
  69 12.4 124
  70 2.7 27
  71 11.7 117
  72 1.6 16
  73 64.7 647
  74 6.5 65
  75 17.8 178
  76 1.5 15
  77 1 10
  81 5.6 56
  82 4 40
  83 15.5 155
  84 1.8 18
  85 6.4 64
  87 1.7 17
  89 28.3 283
  90 2.6 26
  91 6.5 65
  95 6.4 64
  97 13.2 132
  98 1.7 17
  99 1.6 16
  101 3 30
  103 17.5 175
  104 1.8 18
  105 2 20
  107 1.4 14
  109 4.1 41
  110 1.1 11
  111 6.1 61
  113 1 10
  115 3.2 32
  116 2.3 23
  117 1.8 18
  119 1.8 18
  123 1.5 15
  125 2.4 24
  129 17.7 177
  130 2.1 21
  131 2.5 25
  143 2.5 25
  145 2.8 28
  146 2.3 23
  159 10.4 104
  160 1 10
  161 1.4 14
  162 2.2 22
  185 1.5 15
  207 1.4 14
  397 99.99 999
  398 32 320
  399 8 80
  400 1.2 12
  413 3.7 37
  441 32.8 328
  442 10.8 108
  443 2.7 27
  456 3 30
//