MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007693
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007693
RECORD_TITLE: EICOSANE; 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$NAME: EICOSANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H42
CH$EXACT_MASS: 282.32865
CH$SMILES: CCCCCCCCCCCCCCCCCCCC
CH$IUPAC: InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3
CH$LINK: CAS
112-95-8
CH$LINK: INCHIKEY
CBFCDTFDPHXCNY-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1025227
AC$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: splash10-0a4l-9000000000-1fd25ca00429cf4bd43d
PK$NUM_PEAK: 52
PK$PEAK: m/z int. rel.int.
40 1.6 16
41 59.6 596
42 15 150
43 9.89 99
44 4.4 44
53 1.8 18
54 2.7 27
55 2.87 29
56 18.5 185
57 99.99 999
58 6.1 61
67 0.23 2
68 2.1 21
69 12 120
70 11.2 112
71 7.37 74
72 3.9 39
82 2.1 21
83 6.8 68
84 0.59 6
85 41 410
86 2.7 27
96 1 10
97 0.45 5
98 3.4 34
99 10.8 108
100 1 10
111 0.2 2
112 2.2 22
113 5.5 55
125 0.8 8
126 0.14 1
127 3.2 32
140 0.9 9
141 1.9 19
154 0.06 1
155 1.2 12
168 0.4 4
169 0.8 8
182 0.03 0
183 0.5 5
196 0.2 2
197 0.4 4
210 0.02 0
211 0.3 3
224 0.1 1
225 0.3 3
238 0.01 0
239 0.1 1
253 0.1 1
282 0.3 3
283 0.1 1
//