MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001872
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001872
RECORD_TITLE: METHYL 2-TRIMETHYLSILOXYTETRACOSANOATE; 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$NAME: METHYL 2-TRIMETHYLSILOXYTETRACOSANOATE
CH$NAME: METHYL (O-TRIMETHYLSILYL)-ALPHA-HYDROXYLIGNOCERATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C28H58O3Si
CH$EXACT_MASS: 470.41552
CH$SMILES: C(CC(C(OC)=O)O[Si](C)(C)C)CCCCCCCCCCCCCCCCCCCC
CH$IUPAC: InChI=1S/C28H58O3Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(28(29)30-2)31-32(3,4)5/h27H,6-26H2,1-5H3
CH$LINK: INCHIKEY
IBDXNSNFZWQOOS-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$SPLASH: splash10-03k9-9200300000-088f7758d1948fcf01b5
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
39 2.3 23
41 13.9 139
42 5.1 51
43 35.3 353
55 19.8 198
56 5.6 56
57 33.3 333
59 5.7 57
61 2.6 26
67 7.6 76
68 7 70
69 17.4 174
70 7.9 79
71 17.3 173
73 73.8 738
74 8.7 87
75 25.5 255
77 1.8 18
79 1 10
81 6.7 67
82 11.1 111
83 20 200
84 3.6 36
85 7.3 73
87 2.1 21
89 31.9 319
90 3.8 38
91 9 90
95 11.4 114
97 17.6 176
98 3.6 36
101 3.3 33
103 12.6 126
104 3.3 33
105 2.8 28
107 3.3 33
108 1.5 15
109 6 60
111 12 120
115 2.1 21
117 1 10
123 3.7 37
125 4 40
129 27.2 272
130 3.6 36
131 5.1 51
143 3.3 33
145 4.5 45
159 12.9 129
411 99.99 999
412 31.1 311
413 7.7 77
455 30.8 308
456 9.8 98
470 3.4 34
//
system version 2.2.8-SNAPSHOT