MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001870
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001870
RECORD_TITLE: METHYL 2-TRIMETHYLSILOXYDOCOSANOATE; 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$NAME: METHYL 2-TRIMETHYLSILOXYDOCOSANOATE
CH$NAME: METHYL (O-TRIMETHYLSILYL)-ALPHA-HYDROXYBEHENATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C26H54O3Si
CH$EXACT_MASS: 442.38422
CH$SMILES: CCCCCCCCCCCCCCCCCCCCC(C(=O)OC)O[Si](C)(C)C
CH$IUPAC: InChI=1S/C26H54O3Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26(27)28-2)29-30(3,4)5/h25H,6-24H2,1-5H3
CH$LINK: INCHIKEY
QSSVMTKWPPSPAQ-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$SPLASH: splash10-001i-9204100000-4a89313bf56153f70ec6
PK$NUM_PEAK: 68
PK$PEAK: m/z int. rel.int.
41 10 100
42 2.3 23
43 21.8 218
44 1 10
45 1.8 18
54 1.5 15
55 12.4 124
56 2.6 26
57 19.7 197
58 1.1 11
59 6.6 66
61 1.7 17
67 4.3 43
68 2.7 27
69 11.3 113
70 2 20
71 10.8 108
72 1.2 12
73 61.3 613
74 6.2 62
75 15.2 152
76 1.4 14
81 5.1 51
82 3 30
83 13.8 138
84 1.4 14
85 5.5 55
87 1.6 16
89 26.4 264
90 2.1 21
91 6.2 62
95 5.8 58
97 12.7 127
98 1.5 15
99 1.4 14
101 2.8 28
103 16.3 163
104 2 20
105 1.8 18
107 1.4 14
109 3.5 35
111 5.9 59
115 2.8 28
116 2 20
117 1.8 18
119 1.8 18
123 1.4 14
125 2.2 22
129 16.7 167
130 2.1 21
131 2.1 21
143 2.3 23
145 2.3 23
146 2.2 22
159 9.7 97
160 1 10
161 1 10
162 1.6 16
185 1.1 11
383 99.99 999
384 32 320
385 8.4 84
386 1 10
399 3.5 35
427 32.7 327
428 11 110
429 2.7 27
442 2.3 23
//
system version 2.2.8-SNAPSHOT