MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001866
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001866
RECORD_TITLE: METHYL 2-TRIMETHYLSILOXYOCTADECANOATE; 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$NAME: METHYL 2-TRIMETHYLSILOXYOCTADECANOATE
CH$NAME: METHYL (O-TRIMETHYLSILYL)-ALPHA-HYDROXYSTEARATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C22H46O3Si
CH$EXACT_MASS: 386.32162
CH$SMILES: CCCCCCCCCCCCCCCCC(C(=O)OC)O[Si](C)(C)C
CH$IUPAC: InChI=1S/C22H46O3Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22(23)24-2)25-26(3,4)5/h21H,6-20H2,1-5H3
CH$LINK: INCHIKEY
MPVPFICBAYSSLQ-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$SPLASH: splash10-00b9-9205000000-75d1c3ec3f329a2f48a8
PK$NUM_PEAK: 67
PK$PEAK: m/z int. rel.int.
41 11.8 118
42 2.3 23
43 20.2 202
45 3.3 33
52 1.2 12
54 1.2 12
55 11.7 117
56 2.7 27
57 15.5 155
58 1.2 12
59 7.4 74
61 1.4 14
67 4.4 44
68 1.8 18
69 12.3 123
70 2.2 22
71 8 80
72 1.4 14
73 66.3 663
74 6.5 65
75 17.1 171
76 1.3 13
77 1.3 13
79 1.4 14
80 1.1 11
81 5.7 57
82 2.9 29
83 14.5 145
84 1.7 17
85 4.2 42
87 2.5 25
89 30.8 308
90 2.6 26
91 6.1 61
95 5.7 57
97 13.7 137
98 1.3 13
99 1.2 12
101 3.1 31
103 18.3 183
104 1.7 17
105 2.4 24
107 1.7 17
109 3 30
111 6.8 68
115 2.6 26
116 1.8 18
117 2.1 21
119 2.2 22
123 1 10
125 1.8 18
129 13.6 136
130 1.7 17
131 2.6 26
143 1.7 17
145 1.9 19
146 2.1 21
159 9.3 93
162 1.3 13
327 99.99 999
328 26.5 265
329 6.6 66
343 3.5 35
371 32.4 324
372 9 90
373 1.8 18
386 0.7 7
//
system version 2.2.8-SNAPSHOT