MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002660
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002660
RECORD_TITLE: TRIACONTANE; 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$NAME: TRIACONTANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C30H62
CH$EXACT_MASS: 422.48515
CH$SMILES: C(CCCCCCCCCCCCCCCCCCCCCCCCC)CCCC
CH$IUPAC: InChI=1S/C30H62/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3
CH$LINK: COMPTOX
DTXSID0060935
CH$LINK: INCHIKEY
JXTPJDDICSTXJX-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:12535
AC$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-9100000000-9b9337f2e1015ae42f14
PK$NUM_PEAK: 178
PK$PEAK: m/z int. rel.int.
41 13.2 132
42 3.8 38
43 31.8 318
44 29.7 297
45 2 20
47 0.8 8
50 0.18 2
51 2.1 21
52 1.7 17
53 1.2 12
54 0.21 2
55 99.99 999
57 44.3 443
58 2.3 23
59 0.1 1
60 0.05 1
65 0.1 1
67 2.1 21
68 1.7 17
69 0.78 8
70 4.7 47
71 28.8 288
72 1.9 19
73 0.1 1
75 0.2 2
76 0.1 1
77 0.6 6
78 0.08 1
79 0.4 4
80 0.2 2
81 1 10
82 0.25 3
83 6.8 68
84 3.3 33
85 20.5 205
86 0.11 1
87 0.4 4
89 0.3 3
90 0.3 3
91 0.1 1
92 0.1 1
93 0.7 7
95 1.2 12
96 0.02 0
97 5.7 57
98 1.4 14
99 5.4 54
100 0.08 1
101 0.3 3
102 0.4 4
105 0.1 1
107 0.11 1
108 1.2 12
109 1.1 11
110 0.2 2
111 0.33 3
112 1.7 17
113 4.9 49
114 0.3 3
115 0.04 0
117 0.2 2
119 0.6 6
121 0.6 6
122 0.02 0
123 0.4 4
125 1.5 15
126 1.7 17
127 0.32 3
128 0.1 1
129 0.6 6
130 0.5 5
131 0.01 0
132 0.5 5
133 0.7 7
134 0.1 1
135 0.18 2
136 0.1 1
137 0.7 7
139 0.5 5
141 3.3 33
142 0.4 4
143 0.6 6
145 0.1 1
147 1.8 18
148 0.5 5
149 4.4 44
150 0.13 1
151 0.6 6
152 0.4 4
153 1 10
154 0.12 1
155 2.6 26
156 0.6 6
157 0.5 5
158 0.13 1
159 0.03 0
161 0.4 4
165 0.6 6
167 0.2 2
168 0.08 1
169 1.7 17
170 0.5 5
175 0.3 3
176 0.04 0
179 0.1 1
180 0.2 2
181 0.1 1
182 0.06 1
183 1.6 16
184 0.5 5
185 0.4 4
190 0.03 0
191 0.2 2
192 0.1 1
195 0.2 2
196 0.05 1
197 3.1 31
198 0.4 4
199 0.3 3
203 0.04 0
206 0.1 1
207 0.3 3
208 0.5 5
209 0.2 2
210 0.3 3
213 0.4 4
215 0.4 4
216 0.03 0
217 0.2 2
219 0.1 1
221 0.3 3
222 0.03 0
224 0.5 5
225 1.2 12
236 0.3 3
238 0.04 0
239 0.6 6
247 0.4 4
249 0.5 5
250 0.03 0
251 0.3 3
252 0.1 1
253 0.6 6
254 0.01 0
255 0.4 4
256 0.3 3
259 0.6 6
260 0.03 0
265 0.2 2
266 0.3 3
267 0.3 3
268 0.03 0
270 0.4 4
280 0.4 4
281 0.3 3
283 0.01 0
295 0.6 6
309 0.7 7
313 0.2 2
314 0.05 1
316 0.6 6
318 0.3 3
323 0.4 4
327 0.05 1
329 0.2 2
337 0.3 3
343 0.04 0
352 0.6 6
355 1.3 13
365 0.3 3
368 0.4 4
373 0.01 0
375 0.3 3
379 0.4 4
391 0.5 5
393 0.06 1
408 0.3 3
422 0.5 5
//