MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008138
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008138
RECORD_TITLE: OCTACOSANE; 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$NAME: OCTACOSANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C28H58
CH$EXACT_MASS: 394.45385
CH$SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCC
CH$IUPAC: InChI=1S/C28H58/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3
CH$LINK: INCHIKEY
ZYURHZPYMFLWSH-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6058639
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$SPLASH: splash10-0abc-9100000000-d9a900e46caef0fb3acc
PK$NUM_PEAK: 60
PK$PEAK: m/z int. rel.int.
41 23.61 236
42 7.81 78
43 76.47 765
44 5.17 52
53 1.35 14
54 2.98 30
55 20.31 203
56 13.56 136
57 99.99 999
58 7.01 70
67 4.44 44
68 4.3 43
69 13.42 134
70 11.44 114
71 67.95 680
73 1.04 10
81 2.77 28
82 5.51 55
83 13.64 136
84 7.19 72
85 39.92 399
86 2.57 26
96 3.3 33
97 12.44 124
98 4.01 40
99 12.76 128
100 1.2 12
111 3.11 31
112 2.94 29
113 8.89 89
117 1.03 10
125 1.98 20
126 3.32 33
127 6.28 63
135 1.2 12
139 2.14 21
140 3.23 32
141 4.18 42
154 1.38 14
155 5.52 55
168 1.53 15
169 3.62 36
177 1.59 16
182 3.2 32
183 4.73 47
196 2.25 23
197 3.02 30
208 2.65 27
210 1.3 13
211 1.62 16
225 3.43 34
239 3.24 32
240 1.17 12
252 1.48 15
253 2.7 27
267 3.15 32
295 1.69 17
324 1.91 19
338 1.29 13
394 2.15 22
//