MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001871
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
//
system version 2.2.8-SNAPSHOT