MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001869
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
//
system version 2.2.8-SNAPSHOT