MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001867
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001867
RECORD_TITLE: METHYL 2-TRIMETHYLSILOXYNONADECANOATE; 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$NAME: METHYL 2-TRIMETHYLSILOXYNONADECANOATE
CH$NAME: METHYL (O-TRIMETHYLSILYL)-ALPHA-HYDROXYNONADECANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C23H48O3Si
CH$EXACT_MASS: 400.33727
CH$SMILES: CCCCCCCCCCCCCCCCCC(C(=O)OC)O[Si](C)(C)C
CH$IUPAC: InChI=1S/C23H48O3Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23(24)25-2)26-27(3,4)5/h22H,6-21H2,1-5H3
CH$LINK: INCHIKEY
VMAQKURDBISNDM-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:101621147
AC$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: splash10-0006-9207000000-7ae9ddaf279fe36a98e2
PK$NUM_PEAK: 63
PK$PEAK: m/z int. rel.int.
41 9.4 94
42 2 20
43 16.1 161
45 2 20
54 1.2 12
55 9.8 98
56 2.5 25
57 14.1 141
59 5.9 59
61 1.2 12
67 4 40
68 1.8 18
69 10.3 103
70 2 20
71 6.6 66
72 1.1 11
73 52.3 523
74 5.3 53
75 13.1 131
76 1.2 12
77 1.3 13
81 5 50
82 2.9 29
83 10.4 104
84 1.4 14
85 3.8 38
87 1.6 16
89 24.3 243
90 2 20
91 5.4 54
95 5 50
97 12 120
101 2.4 24
103 14.8 148
104 1.5 15
105 2.1 21
107 1.1 11
109 2.8 28
111 5.4 54
115 2.7 27
116 1.7 17
117 1.3 13
119 2 20
123 1.1 11
125 1.7 17
129 12.9 129
130 1.6 16
131 2.2 22
143 1.6 16
145 1.6 16
146 1.8 18
149 1.1 11
159 8.1 81
162 1.4 14
207 1.8 18
341 99.99 999
342 28.3 283
343 6.8 68
357 3.6 36
385 34.6 346
386 9.2 92
387 2.1 21
400 1.1 11
//
system version 2.2.8-SNAPSHOT