MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002657
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002657
RECORD_TITLE: OCTADECANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, DEPT. OF CHEMISTRY, FAC. OF SCI. AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: OCTADECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H38
CH$EXACT_MASS: 254.29735
CH$SMILES: CCCCCCCCCCCCCCCCCC
CH$IUPAC: InChI=1S/C18H38/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3
CH$LINK: INCHIKEY
RZJRJXONCZWCBN-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9047172
AC$INSTRUMENT: SHIMADZU LKB-9000B
AC$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$SPLASH: splash10-0a4l-9000000000-354d03fbe6dc8057cf34
PK$NUM_PEAK: 87
PK$PEAK: m/z int. rel.int.
41 29.2 292
42 8 80
43 70.4 704
44 9.2 92
45 0.2 2
47 0.1 1
51 0.2 2
52 0.01 0
53 1.3 13
54 2.3 23
55 63.3 633
57 99.99 999
58 4.8 48
59 0.8 8
65 0.2 2
66 0.02 0
67 2.5 25
68 2.2 22
69 11.1 111
70 1.1 11
71 64.1 641
72 3.7 37
73 0.1 1
75 0.06 1
76 0.1 1
77 0.2 2
78 0.1 1
79 0.06 1
80 0.2 2
81 1.2 12
82 2.5 25
83 0.79 8
84 6.9 69
85 41.8 418
86 2.8 28
91 0.02 0
93 0.1 1
94 0.1 1
95 0.7 7
96 0.14 1
97 6.1 61
98 4.6 46
99 12.4 124
100 0.09 1
105 0.1 1
107 0.1 1
108 0.1 1
109 0.03 0
110 0.6 6
111 2.8 28
112 3.4 34
113 0.76 8
114 0.6 6
117 0.1 1
123 0.1 1
124 0.03 0
125 1.3 13
126 2.6 26
127 5.3 53
128 0.05 1
138 0.1 1
139 0.3 3
140 1.9 19
141 0.38 4
142 0.3 3
147 0.1 1
153 0.1 1
154 0.13 1
155 2.7 27
156 0.3 3
168 1.1 11
169 0.21 2
170 0.3 3
182 0.7 7
183 1.9 19
184 0.02 0
196 0.5 5
197 1.4 14
198 0.1 1
210 0.01 0
211 0.9 9
212 0.1 1
224 0.1 1
225 0.05 1
252 0.2 2
254 2 20
255 0.3 3
//