MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008141
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008141
RECORD_TITLE: NONACOSANE; 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$NAME: NONACOSANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C29H60
CH$EXACT_MASS: 408.46950
CH$SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCC
CH$IUPAC: InChI=1S/C29H60/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-29H2,1-2H3
CH$LINK: INCHIKEY
IGGUPRCHHJZPBS-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2060884
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$SPLASH: splash10-0abl-9100000000-1d9663244f481f209c4f
PK$NUM_PEAK: 66
PK$PEAK: m/z int. rel.int.
41 33.15 332
42 10.38 104
43 98.73 987
45 1.63 16
54 1.72 17
55 29.33 293
56 18.29 183
57 95.5 955
58 10.59 106
68 5.27 53
69 29.44 294
70 11.09 111
71 99.99 999
72 7.27 73
82 3.98 40
83 12.8 128
84 10.24 102
85 94.49 945
86 7.37 74
95 1.56 16
97 14.74 147
98 8.85 89
99 21.74 217
100 1.48 15
110 2.21 22
111 9.1 91
112 9.17 92
113 13.68 137
114 2.06 21
125 3.37 34
126 7.61 76
127 16.52 165
139 2.48 25
140 4.63 46
141 11.11 111
154 3.06 31
155 10.22 102
156 1.17 12
168 5.18 52
169 4.09 41
182 2.74 27
183 7.52 75
196 1.45 15
197 5.17 52
207 6.44 64
208 1.91 19
211 5.15 52
212 1.05 11
224 2.54 25
225 1.63 16
238 3.15 32
239 4.47 45
252 2.01 20
253 3.74 37
266 1.04 10
267 3.2 32
283 1.3 13
294 1.31 13
295 2.74 27
308 1.01 10
309 1.84 18
323 2.31 23
337 2.11 21
351 1.1 11
408 5.1 51
409 1.93 19
//