MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002658
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002658
RECORD_TITLE: TETRACOSANE; 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$NAME: TETRACOSANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C24H50
CH$EXACT_MASS: 338.39125
CH$SMILES: CCCCCCCCCCCCCCCCCCCCCCCC
CH$IUPAC: InChI=1S/C24H50/c1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3
CH$LINK: INCHIKEY
POOSGDOYLQNASK-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8060955
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$SPLASH: splash10-0a4l-9100000000-800fccba1318c9c04367
PK$NUM_PEAK: 150
PK$PEAK: m/z int. rel.int.
41 28.5 285
42 7.1 71
43 70.8 708
44 1.9 19
45 1 10
47 0.5 5
49 0.6 6
50 0.06 1
51 0.4 4
52 0.2 2
53 0.6 6
54 0.21 2
55 24.4 244
56 14.5 145
57 99.99 999
58 0.49 5
59 1.6 16
60 1 10
64 0.5 5
66 0.03 0
67 4.3 43
68 3.6 36
69 15.5 155
70 1.01 10
71 69.2 692
72 2.5 25
73 0.7 7
75 0.28 3
76 0.6 6
77 0.8 8
78 0.6 6
79 0.08 1
80 0.6 6
81 0.6 6
82 4.4 44
83 1.05 11
84 6.6 66
85 45.2 452
86 3.3 33
87 0.05 1
90 0.7 7
91 0.8 8
92 0.3 3
93 0.07 1
94 1 10
95 2 20
96 3.3 33
97 0.94 9
98 0.4 4
99 13.3 133
100 0.8 8
102 0.04 0
103 0.2 2
104 0.3 3
105 0.7 7
108 0.13 1
109 0.4 4
110 0.4 4
111 4.5 45
112 0.22 2
113 9.3 93
114 0.9 9
115 1 10
116 0.07 1
117 0.6 6
121 0.2 2
123 1.1 11
124 0.07 1
125 2.7 27
126 1.9 19
127 5.5 55
128 0.03 0
129 0.3 3
130 0.5 5
132 0.6 6
134 0.01 0
135 2 20
137 0.1 1
138 0.1 1
141 0.51 5
142 0.7 7
143 0.5 5
145 0.9 9
146 0.06 1
147 2.4 24
148 0.6 6
149 7.2 72
150 0.15 2
151 0.9 9
152 0.8 8
153 1 10
154 0.21 2
155 4 40
156 1 10
158 0.5 5
161 0.06 1
162 0.4 4
165 1.3 13
167 0.1 1
168 0.06 1
169 2 20
177 0.2 2
178 0.2 2
180 0.03 0
181 0.3 3
182 0.9 9
183 1.8 18
184 0.05 1
187 0.2 2
188 0.4 4
191 0.4 4
193 0.06 1
194 0.7 7
196 0.6 6
197 2.8 28
198 0.05 1
205 0.1 1
206 0.1 1
207 2 20
208 0.09 1
209 1.3 13
210 0.6 6
211 1.3 13
212 0.7 7
215 0.4 4
219 0.1 1
221 0.3 3
222 0.06 1
224 0.7 7
225 1.4 14
226 0.5 5
238 0.06 1
239 0.4 4
251 0.5 5
252 0.2 2
254 0.02 0
255 0.2 2
259 0.4 4
266 0.4 4
267 0.03 0
270 0.5 5
271 0.7 7
272 0.4 4
281 0.08 1
282 0.6 6
295 0.6 6
316 0.4 4
327 0.07 1
333 0.5 5
338 0.4 4
//