MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002717
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002717
RECORD_TITLE: LACTIC 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$NAME: LACTIC ACID-DI-TMS
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H22O3Si2
CH$EXACT_MASS: 234.11075
CH$SMILES: O=C(O[Si](C)(C)C)C([H])(C)O[Si](C)(C)C
CH$IUPAC: InChI=1S/C9H22O3Si2/c1-8(11-13(2,3)4)9(10)12-14(5,6)7/h8H,1-7H3/t8-/m0/s1
CH$LINK: INCHIKEY
HXRGKEOWDNVHPA-QMMMGPOBSA-N
CH$LINK: COMPTOX
DTXSID70505390
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$SPLASH: splash10-00xr-9600000000-012175bf870e7dd12a15
PK$NUM_PEAK: 98
PK$PEAK: m/z int. rel.int.
41 19.5 195
42 2.1 21
43 7 70
44 3.2 32
45 14.1 141
46 1 10
47 4.1 41
48 0.02 0
49 0.1 1
50 0.1 1
51 0.4 4
52 0.12 1
53 0.3 3
55 2.6 26
56 0.6 6
57 0.09 1
58 3.1 31
59 6.4 64
60 0.9 9
61 0.25 3
62 0.1 1
66 9.9 99
67 1.3 13
68 0.01 0
70 0.6 6
71 0.9 9
72 3.5 35
73 99.99 999
74 9.3 93
75 36.3 363
76 2.8 28
77 0.17 2
78 0.8 8
79 0.3 3
80 0.3 3
81 0.05 1
82 0.1 1
85 0.2 2
86 0.2 2
87 0.12 1
88 5.3 53
89 0.8 8
90 0.1 1
91 0.01 0
93 1.8 18
94 0.2 2
95 1.8 18
100 0.03 0
101 2 20
102 1.8 18
103 1.2 12
105 0.03 0
107 1.1 11
109 0.9 9
113 0.1 1
115 0.08 1
116 13 130
117 73.4 734
118 8.2 82
119 0.39 4
120 0.6 6
121 12 120
122 0.9 9
123 1.15 12
124 0.3 3
129 0.8 8
130 0.1 1
131 0.3 3
132 0.5 5
133 4.9 49
134 0.6 6
135 0.03 0
144 0.1 1
145 0.2 2
146 0.2 2
147 6.37 64
148 9.8 98
149 5.4 54
150 0.5 5
151 0.01 0
163 0.1 1
167 0.1 1
168 0.1 1
174 0.01 0
175 0.5 5
176 0.1 1
190 9.8 98
191 1.06 11
192 2.5 25
193 0.8 8
194 0.1 1
200 0.3 3
202 5.5 55
203 0.4 4
204 2.9 29
219 0.48 5
220 0.8 8
221 0.4 4
//