MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003102
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003102
RECORD_TITLE: (Z)-N-(AMINOCARBONYL)-2-ETHYL-2-BUTENAMIDE; 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$NAME: (Z)-N-(AMINOCARBONYL)-2-ETHYL-2-BUTENAMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H12N2O2
CH$EXACT_MASS: 156.08988
CH$SMILES: CCC(=C([H])C)C(=O)NC(N)=O
CH$IUPAC: InChI=1S/C7H12N2O2/c1-3-5(4-2)6(10)9-7(8)11/h3H,4H2,1-2H3,(H3,8,9,10,11)/b5-3-
CH$LINK: INCHIKEY
QCUPYFTWJOZAOB-HYXAFXHYSA-N
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0006-9100000000-c6f60f2149ad8706d098
PK$NUM_PEAK: 62
PK$PEAK: m/z int. rel.int.
36 2.8 28
37 3 30
38 6.5 65
39 3.94 39
40 9.5 95
41 99.99 999
42 12.9 129
43 0.52 5
44 49.1 491
45 1.7 17
49 1.9 19
50 0.37 4
51 7.5 75
52 6.4 64
53 32.5 325
54 0.84 8
55 33.4 334
56 4.8 48
57 2.6 26
58 0.02 0
59 1.4 14
61 4.9 49
62 1.6 16
63 0.29 3
64 2.1 21
65 4.3 43
66 5.5 55
67 3.39 34
68 29.7 297
69 36.6 366
70 9.3 93
71 0.02 0
72 0.9 9
79 0.9 9
80 9.2 92
81 0.89 9
82 1.9 19
83 1.7 17
84 2.5 25
85 0.53 5
86 1.2 12
87 0.9 9
93 0.9 9
94 0.02 0
95 10.4 104
96 49.4 494
97 14.1 141
98 4.72 47
99 3.7 37
100 0.9 9
111 0.3 3
112 0.03 0
113 49.9 499
114 4.1 41
115 0.9 9
128 0.36 4
139 1.7 17
140 0.2 2
141 2.9 29
156 2.46 25
157 2.9 29
158 1.2 12
//
system version 2.2.8-SNAPSHOT