MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002719
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002719
RECORD_TITLE: METHYLMALONIC ACID-DI-TMS; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, DEPT. OF CHEMISTRY, FAC. OF SCI. AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: METHYLMALONIC ACID-DI-TMS
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H22O4Si2
CH$EXACT_MASS: 262.10566
CH$SMILES: O=C(O[Si](C)(C)C)C(C)C(=O)O[Si](C)(C)C
CH$IUPAC: InChI=1S/C10H22O4Si2/c1-8(9(11)13-15(2,3)4)10(12)14-16(5,6)7/h8H,1-7H3
CH$LINK: INCHIKEY
LJDAAXOEMCESSS-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID90334523
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$SPLASH: splash10-006t-9800000000-1870910b529d0aacca3c
PK$NUM_PEAK: 111
PK$PEAK: m/z int. rel.int.
41 4 40
42 0.7 7
43 4.9 49
44 6.1 61
45 12 120
46 0.9 9
47 4.3 43
48 0.02 0
49 0.1 1
50 0.1 1
51 0.4 4
52 0.01 0
53 0.3 3
54 0.2 2
55 4.4 44
56 1.35 14
57 3 30
58 1.9 19
59 4.8 48
60 0.08 1
61 1.9 19
62 0.1 1
63 0.1 1
66 0.87 9
67 0.8 8
68 0.1 1
69 0.3 3
70 0.03 0
71 0.5 5
72 3.7 37
73 68.2 682
74 0.65 7
75 20 200
76 1.3 13
77 0.9 9
78 0.01 0
81 0.2 2
83 2.4 24
84 0.1 1
85 0.02 0
86 1.2 12
87 0.3 3
88 0.3 3
89 0.03 0
93 0.2 2
94 1.4 14
95 0.1 1
99 0.02 0
101 0.4 4
103 0.7 7
104 0.1 1
105 0.04 0
113 2.5 25
114 0.1 1
115 1 10
116 0.29 3
117 3.5 35
118 0.4 4
119 0.3 3
120 0.01 0
126 0.1 1
127 0.1 1
128 0.1 1
129 0.16 2
130 1.1 11
131 2.7 27
132 0.4 4
133 0.36 4
134 0.4 4
135 0.3 3
141 0.1 1
143 0.02 0
144 0.1 1
145 0.2 2
146 0.3 3
147 99.99 999
148 16 160
149 8.5 85
150 0.8 8
151 0.01 0
155 0.1 1
157 2 20
158 0.2 2
159 0.01 0
161 0.1 1
163 0.2 2
165 0.1 1
172 0.05 1
173 0.1 1
175 0.1 1
187 0.1 1
189 0.01 0
190 0.4 4
191 0.3 3
192 0.1 1
203 0.05 1
204 0.1 1
217 0.2 2
218 5.9 59
219 0.11 1
220 0.6 6
221 0.1 1
231 0.3 3
237 0.02 0
239 0.1 1
243 0.1 1
247 6.3 63
248 0.13 1
249 0.5 5
250 0.1 1
262 0.5 5
//