MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003870
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003870
RECORD_TITLE: MEPROBAMATE; 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$NAME: MEPROBAMATE
CH$NAME: 2-METHYL-2-PROPYL-1,3-PROPANEDIOL DICARBAMATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H18N2O4
CH$EXACT_MASS: 218.12666
CH$SMILES: CCCC(C)(COC(N)=O)COC(N)=O
CH$IUPAC: InChI=1S/C9H18N2O4/c1-3-4-9(2,5-14-7(10)12)6-15-8(11)13/h3-6H2,1-2H3,(H2,10,12)(H2,11,13)
CH$LINK: INCHIKEY
NPPQSCRMBWNHMW-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3023261
AC$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: splash10-053u-9100000000-d890d15ca6738ce72f60
PK$NUM_PEAK: 89
PK$PEAK: m/z int. rel.int.
26 0.1 1
27 5.4 54
28 5.8 58
29 0.89 9
30 1 10
31 8.4 84
32 0.6 6
38 0.02 0
39 6.1 61
40 1.7 17
41 23.5 235
42 0.51 5
43 17.9 179
44 23.7 237
45 15.8 158
46 0.29 3
47 0.9 9
51 0.4 4
52 0.3 3
53 0.33 3
54 2.7 27
55 59.4 594
56 25.9 259
57 1.09 11
58 3.9 39
59 10.9 109
60 0.9 9
61 0.01 0
62 30.4 304
63 0.9 9
64 0.1 1
65 0.01 0
66 0.8 8
67 5.2 52
68 3.9 39
69 0.99 10
70 2.8 28
71 44.9 449
72 9.9 99
73 0.12 1
74 1.8 18
75 19.4 194
76 1.6 16
77 0.07 1
79 1.2 12
80 0.3 3
81 16.1 161
82 0.33 3
83 99.99 999
84 24.9 249
85 5.7 57
86 0.24 2
87 0.4 4
88 0.4 4
89 0.7 7
92 0.38 4
93 0.6 6
94 0.1 1
95 1.3 13
96 4.39 44
97 5.3 53
98 0.9 9
99 3.4 34
100 0.25 3
101 13.2 132
102 1.5 15
103 0.1 1
104 0.14 1
105 1 10
112 0.1 1
113 1.1 11
114 4.21 42
115 5.9 59
116 0.9 9
117 0.2 2
131 0.05 1
132 1.3 13
133 0.1 1
135 1.5 15
136 0.08 1
142 0.8 8
144 34.9 349
145 3.1 31
146 0.03 0
157 1.8 18
158 0.9 9
159 0.1 1
174 0.03 0
175 0.6 6
//