MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003873
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003873
RECORD_TITLE: CARISOPRODOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA
CH$NAME: CARISOPRODOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H24N2O4
CH$EXACT_MASS: 260.17361
CH$SMILES: CCCC(C)(COC(N)=O)COC(=O)NC(C)C
CH$IUPAC: InChI=1S/C12H24N2O4/c1-5-6-12(4,7-17-10(13)15)8-18-11(16)14-9(2)3/h9H,5-8H2,1-4H3,(H2,13,15)(H,14,16)
CH$LINK: INCHIKEY
OFZCIYFFPZCNJE-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8024733
AC$INSTRUMENT: Unknown
AC$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$SPLASH: splash10-0a4i-9200000000-7ee2bc67a583d40d99b8
PK$NUM_PEAK: 111
PK$PEAK: m/z int. rel.int.
26 0.8 8
27 8.8 88
28 6.7 67
29 0.94 9
30 1.3 13
31 6.7 67
38 0.1 1
39 0.06 1
40 2 20
41 27.4 274
42 8.7 87
43 0.53 5
44 27.4 274
45 9.5 95
46 1.5 15
47 0.05 1
51 0.9 9
52 0.9 9
53 3.4 34
54 0.24 2
55 77.4 774
56 37.7 377
57 12 120
58 99.99 999
59 11.9 119
60 2.9 29
61 0.9 9
62 3.94 39
63 1.5 15
64 0.6 6
65 0.9 9
66 0.05 1
67 4.1 41
68 3.4 34
69 17.9 179
70 1.19 12
71 28.9 289
72 10.9 109
73 3.9 39
74 0.19 2
75 4.9 49
76 0.9 9
77 0.9 9
79 0.09 1
80 0.6 6
81 6.9 69
82 1.9 19
83 2.89 29
84 23.9 239
85 5.9 59
86 13.9 139
87 0.13 1
88 4.9 49
89 0.9 9
90 0.5 5
91 0.03 0
92 1.1 11
93 0.1 1
94 0.1 1
95 0.19 2
96 10.1 101
97 55.4 554
98 11.4 114
99 0.03 0
100 1.9 19
101 5.9 59
102 8.9 89
103 0.13 1
104 43.5 435
105 2.2 22
106 0.4 4
112 0.02 0
113 0.9 9
114 13.9 139
115 9.1 91
116 0.13 1
117 1.4 14
118 0.9 9
119 0.3 3
123 0.09 1
131 0.8 8
132 0.9 9
133 0.2 2
134 0.03 0
140 0.5 5
142 0.2 2
143 0.2 2
144 0.37 4
145 0.8 8
147 1.1 11
157 2 20
158 4.09 41
159 4.4 44
160 0.7 7
174 0.6 6
175 0.07 1
176 5.9 59
177 0.9 9
184 9.4 94
185 0.15 2
186 3.8 38
187 0.9 9
199 1.1 11
200 0.01 0
202 1.6 16
217 0.5 5
245 17.1 171
246 0.27 3
247 0.2 2
260 2.8 28
261 0.8 8
//