MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008139
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008139
RECORD_TITLE: TRIACONTANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAOKA R, KYOTO INSTITUTE OF TECHNOLOGY
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$LINK: INCHIKEY
JXTPJDDICSTXJX-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0060935
AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0abc-9100000000-53e5f2ce729aee0ec9dc
PK$NUM_PEAK: 73
PK$PEAK: m/z int. rel.int.
41 29.5 295
42 12.43 124
43 96.42 964
44 4.27 43
53 2.61 26
54 4.89 49
55 42.49 425
56 22.18 222
57 99.99 999
58 7.19 72
59 2.32 23
60 1.22 12
67 4.81 48
68 3.37 34
69 21.43 214
70 14.17 142
71 93.4 934
72 4.76 48
78 1.22 12
79 2.32 23
81 1.38 14
82 6.16 62
83 17.38 174
84 8.4 84
85 58.96 590
86 4.88 49
95 1.68 17
96 5.85 59
97 19.5 195
98 7.05 71
99 18.64 186
103 2.96 30
111 8.08 81
112 6.03 60
113 12.05 121
114 1.1 11
115 2.01 20
125 2.21 22
126 2.57 26
127 7.92 79
132 1.31 13
135 1.17 12
139 1 10
140 4.94 49
141 7.55 76
142 1.44 14
147 1.67 17
154 2.32 23
155 3.95 40
161 1.06 11
163 1.48 15
168 2.72 27
169 3.83 38
177 1.92 19
182 1.37 14
183 4.72 47
193 1.64 16
194 1.1 11
196 1.79 18
197 3.54 35
207 9.5 95
208 5.06 51
211 2.36 24
221 1.1 11
224 1.35 14
225 2.51 25
239 1.4 14
266 1.12 11
281 7.55 76
282 1.05 11
309 1.17 12
365 1 10
422 1.3 13
//