MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007692
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007692
RECORD_TITLE: OCTADECANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KYOTO INSTITUTE 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$LINK: CAS
593-45-3
CH$LINK: INCHIKEY
RZJRJXONCZWCBN-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9047172
AC$INSTRUMENT: SHIMADZU QP-1000
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: splash10-0a4i-9000000000-43dac811921ac7f1d82c
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
40 1.8 18
41 44.5 445
42 11 110
43 9.39 94
44 3.8 38
53 1.5 15
54 2 20
55 2.04 20
56 13.7 137
57 99.99 999
58 4.3 43
67 0.17 2
68 1.5 15
69 8 80
70 8.2 82
71 5.26 53
72 3 30
82 1.6 16
83 4.7 47
84 0.43 4
85 28.8 288
86 2 20
97 3.1 31
98 0.26 3
99 7.9 79
111 1.4 14
112 1.8 18
113 0.4 4
126 1.1 11
127 2.5 25
140 0.8 8
141 0.14 1
154 0.5 5
155 0.9 9
168 0.4 4
169 0.06 1
182 0.3 3
183 0.4 4
196 0.2 2
197 0.03 0
210 0.1 1
211 0.2 2
224 0.1 1
225 0.01 0
254 0.5 5
255 0.1 1
//