MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003869
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003869
RECORD_TITLE: MEBUTAMATE; 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$NAME: MEBUTAMATE
CH$NAME: 2-SEC-BUTYL-2-METHYL-1,3-PROPANEDIOL DICARBAMATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H20N2O4
CH$EXACT_MASS: 232.14231
CH$SMILES: CCC(C)C(C)(COC(N)=O)COC(N)=O
CH$IUPAC: InChI=1S/C10H20N2O4/c1-4-7(2)10(3,5-15-8(11)13)6-16-9(12)14/h7H,4-6H2,1-3H3,(H2,11,13)(H2,12,14)
CH$LINK: INCHIKEY
LEROTMJVBFSIMP-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1023239
AC$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: splash10-0aba-9200000000-e229dbd3b7da4f2a4429
PK$NUM_PEAK: 99
PK$PEAK: m/z int. rel.int.
26 0.9 9
27 7.7 77
28 7.4 74
29 1.59 16
30 1.3 13
31 7.9 79
32 0.9 9
39 0.07 1
40 1.9 19
41 29.4 294
42 4.9 49
43 2.14 21
44 24.9 249
45 6.4 64
46 1.7 17
47 0.06 1
51 0.7 7
52 0.5 5
53 4.9 49
54 0.47 5
55 62.4 624
56 11.5 115
57 24.5 245
58 0.38 4
59 7 70
60 0.8 8
61 0.8 8
62 4.09 41
63 0.9 9
64 0.4 4
65 1 10
66 0.09 1
67 6.1 61
68 3.4 34
69 34.4 344
70 1.25 13
71 42.1 421
72 64 640
73 14.9 149
74 0.23 2
75 16.9 169
76 1.6 16
77 1 10
78 0.01 0
79 1.8 18
80 0.3 3
81 8.4 84
82 0.59 6
83 8.9 89
84 12.9 129
85 5.7 57
86 0.13 1
87 0.4 4
88 1.3 13
89 1.8 18
91 0.07 1
92 1.9 19
93 0.6 6
94 0.7 7
95 1.59 16
96 2.9 29
97 99.99 999
98 17.9 179
99 0.79 8
100 2.4 24
101 1 10
102 0.9 9
103 0.01 0
104 2.5 25
105 1.3 13
106 0.1 1
109 0.14 1
110 34.9 349
111 3.9 39
112 1 10
113 0.19 2
114 5.2 52
115 20.4 204
116 5 50
117 0.07 1
118 0.6 6
119 0.5 5
120 0.1 1
126 0.01 0
127 0.3 3
128 15.9 159
129 1.9 19
130 0.01 0
131 0.3 3
132 3.9 39
133 0.9 9
134 0.07 1
135 1.1 11
136 0.9 9
158 30.9 309
159 0.29 3
160 0.4 4
175 4.4 44
176 0.9 9
//