MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006887
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006887
RECORD_TITLE: OCTADECANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0596-9000000000-b09d63469160a7383701
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
27 8.76 88
29 25.11 251
39 5.62 56
41 42.56 426
42 10.74 107
43 89.74 897
44 2.9 29
53 1.68 17
54 2.28 23
55 25.48 255
56 14.86 149
57 99.99 999
58 4.14 41
67 1.65 17
68 1.49 15
69 9.7 97
70 11.52 115
71 62.27 623
72 3.44 34
82 1.19 12
83 5.87 59
84 5.39 54
85 37.1 371
86 2.27 23
97 4.65 47
98 3.96 40
99 9.07 91
111 1.38 14
112 3.07 31
113 6.17 62
126 2.2 22
127 4.13 41
140 1.29 13
141 2.65 27
155 1.76 18
169 1.45 15
183 1.1 11
197 1.1 11
254 2.12 21
//
system version 2.2.6-SNAPSHOT