MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003952
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003952
RECORD_TITLE: OXANAMIDE QUINACTIN; 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$NAME: OXANAMIDE QUINACTIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H15NO2
CH$EXACT_MASS: 157.11028
CH$SMILES: CCCC(O1)C(CC)(C(N)=O)1
CH$IUPAC: InChI=1S/C8H15NO2/c1-3-5-6-8(4-2,11-6)7(9)10/h6H,3-5H2,1-2H3,(H2,9,10)
CH$LINK: INCHIKEY
WBLPIVIXQOFTPQ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID50925350
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: splash10-052u-9100000000-f85db72ce512c3e6c6cb
PK$NUM_PEAK: 127
PK$PEAK: m/z int. rel.int.
33 1.7 17
34 6.9 69
35 19.4 194
36 99.99 999
37 6.3 63
38 67.3 673
39 55 550
40 8.35 84
41 83.6 836
42 29.7 297
43 51.1 511
44 7.27 73
45 5.7 57
46 1.9 19
47 2.3 23
48 0.17 2
49 1.9 19
50 7.7 77
51 11.5 115
52 1.11 11
53 18.5 185
54 14.1 141
55 65.5 655
56 1.99 20
57 99.95 1000
58 13.5 135
59 4.4 44
60 0.39 4
61 1.3 13
62 1.7 17
63 4.3 43
64 0.34 3
65 8.4 84
66 7.8 78
67 21.7 217
68 0.81 8
69 17.9 179
70 12.2 122
71 16.9 169
72 2.23 22
73 5.9 59
74 2.6 26
75 3.3 33
76 0.32 3
77 12.5 125
78 8.3 83
79 14.5 145
80 0.93 9
81 14.9 149
82 24.1 241
83 16.1 161
84 0.62 6
85 18.2 182
86 3.6 36
87 5.2 52
88 0.17 2
89 2.2 22
90 1.5 15
91 10.3 103
92 0.56 6
94 5.2 52
95 7.9 79
96 5.1 51
97 0.81 8
98 4.6 46
99 1.9 19
100 2.7 27
101 0.31 3
102 1.6 16
103 1.9 19
104 2.5 25
105 0.39 4
106 4.9 49
107 3.6 36
108 3.6 36
109 0.49 5
110 3.8 38
111 3 30
112 8.7 87
113 0.62 6
114 4.5 45
115 3.5 35
116 1.8 18
117 0.23 2
118 1.8 18
119 2.5 25
120 2.7 27
121 0.35 4
122 2.3 23
123 3 30
124 4.1 41
125 0.03 0
126 6.1 61
127 1.9 19
128 3 30
129 0.26 3
130 1.2 12
131 1.5 15
132 1.1 11
133 0.19 2
134 1.1 11
135 3 30
136 1.2 12
137 0.18 2
138 1.3 13
139 2.8 28
140 3.1 31
141 0.44 4
142 5 50
143 2.1 21
144 0.9 9
145 0.13 1
146 0.8 8
147 1.5 15
148 1 10
149 0.54 5
150 1.5 15
151 1.2 12
152 1.9 19
153 0.15 2
154 1.1 11
155 1.2 12
156 1 10
157 0.18 2
158 1.5 15
159 1.2 12
160 0.2 2
//