ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001869
RECORD_TITLE: METHYL 2-TRIMETHYLSILOXYHENEICOSANOATE; 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$NAME: METHYL 2-TRIMETHYLSILOXYHENEICOSANOATE
CH$NAME: METHYL (O-TRIMETHYLSILYL)-ALPHA-HYDROXYHENEICOSANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₅H₅₂O₃Si
CH$EXACT_MASS: 428.36857
CH$SMILES: CCCCCCCCCCCCCCCCCCCC(C(=O)OC)O[Si](C)(C)C
CH$IUPAC: InChI=1S/C25H52O3Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25(26)27-2)28-29(3,4)5/h24H,6-23H2,1-5H3
CH$LINK: INCHIKEY KAWPRWNCFLMHOR-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$SPLASH: splash10-01b9-9203100000-e68f380f6f25fd95e170
PK$NUM_PEAK: 67
PK$PEAK: m/z int. rel.int.
  41 10.7 107
  42 2.8 28
  43 25.4 254
  45 2.4 24
  54 1.5 15
  55 13.9 139
  56 2.6 26
  57 21.2 212
  58 1.5 15
  59 7.4 74
  61 1.5 15
  67 5.4 54
  68 2.6 26
  69 12.8 128
  70 2.3 23
  71 11.2 112
  72 1.6 16
  73 69.4 694
  74 6.8 68
  75 17.7 177
  76 1.5 15
  81 6.2 62
  82 3.7 37
  83 16.2 162
  84 1.9 19
  85 6.2 62
  87 1.9 19
  89 29.7 297
  90 2.5 25
  91 6.2 62
  95 6.3 63
  97 13.9 139
  98 1.5 15
  99 1.5 15
  101 3.5 35
  103 18.6 186
  104 1.8 18
  105 2 20
  107 1.3 13
  109 3.5 35
  110 1 10
  111 6.5 65
  115 3.2 32
  116 2.3 23
  117 1.9 19
  119 1.9 19
  123 1.6 16
  125 2.2 22
  129 16.7 167
  130 2.1 21
  131 2.5 25
  143 2.1 21
  145 2.5 25
  146 2.2 22
  159 10.9 109
  160 1 10
  161 1.3 13
  162 2 20
  185 1.3 13
  369 99.99 999
  370 30.4 304
  371 7.6 76
  385 3.5 35
  413 32 320
  414 10.2 102
  415 2.5 25
  428 1.8 18
//