MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003300
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003300
RECORD_TITLE: 9-OCTADECENAMIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
CH$NAME: 9-OCTADECENAMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H35NO
CH$EXACT_MASS: 281.27186
CH$SMILES: CCCCCCCCC=CCCCCCCCC(N)=O
CH$IUPAC: InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H2,19,20)/b10-9+
CH$LINK: INCHIKEY
FATBGEAMYMYZAF-MDZDMXLPSA-N
AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0ab9-9100000000-b569e50a84dfd9fefa0f
PK$NUM_PEAK: 68
PK$PEAK: m/z int. rel.int.
43 31.5 315
44 15.3 153
53 3.3 33
54 31.1 311
55 6.4 64
56 12.9 129
58 99.99 999
59 12.3 123
65 1.3 13
67 9.4 94
68 3.5 35
69 15.3 153
70 3.8 38
71 3.9 39
72 76.8 768
73 8.2 82
77 1.5 15
79 2.5 25
80 1.5 15
81 6.9 69
82 3.3 33
83 8.9 89
84 3.5 35
85 1.5 15
86 8.1 81
87 1.3 13
93 1.5 15
95 5 50
96 3.1 31
97 5.7 57
98 6.6 66
99 1.5 15
100 4.5 45
101 1.9 19
109 2 20
110 2.5 25
111 2.5 25
112 5.2 52
113 1.5 15
114 6.4 64
115 2.1 21
121 1.3 13
122 1.9 19
123 2 20
124 1.5 15
125 1.5 15
126 5.5 55
127 1.5 15
128 5.3 53
136 1.3 13
137 1.6 16
138 1.3 13
140 2.2 22
142 1.5 15
154 2.1 21
156 1.6 16
170 1.7 17
184 1.7 17
198 1.5 15
226 1.3 13
228 1.5 15
253 1.6 16
254 1.6 16
256 1.6 16
264 3 30
281 9.9 99
282 6.8 68
283 1.5 15
//