MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008135
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008135
RECORD_TITLE: TETRACOSANE; 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$NAME: TETRACOSANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C24H50
CH$EXACT_MASS: 338.39125
CH$SMILES: CCCCCCCCCCCCCCCCCCCCCCCC
CH$IUPAC: InChI=1S/C24H50/c1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3
CH$LINK: INCHIKEY
POOSGDOYLQNASK-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8060955
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$SPLASH: splash10-0abc-9100000000-5f5f24490eda4e1b4d66
PK$NUM_PEAK: 64
PK$PEAK: m/z int. rel.int.
41 62.72 627
42 17.19 172
43 97.24 972
44 5.38 54
53 4.6 46
54 7.78 78
55 56.89 569
56 22.57 226
57 99.99 999
58 10.68 107
67 4.87 49
68 7.53 75
69 26.01 260
70 22.6 226
71 98.53 985
72 7.64 76
73 1.05 11
81 1.33 13
82 5.81 58
83 21.16 212
84 11.96 120
85 85.14 851
86 6.7 67
95 1.16 12
96 2.71 27
97 11.4 114
98 10.96 110
99 27.44 274
100 3.38 34
110 1.63 16
111 6.77 68
112 7.52 75
113 18.83 188
114 1.83 18
115 1.02 10
124 1.42 14
125 3.28 33
126 6.25 63
127 12.89 129
138 1 10
140 3.99 40
141 10.26 103
142 1.04 10
154 3.27 33
155 9.54 95
168 3.1 31
169 7.58 76
183 5.73 57
196 3.74 37
197 5.15 52
198 1.06 11
207 1.78 18
210 1.73 17
211 4.83 48
224 1.36 14
225 3.04 30
238 2.16 22
239 3.16 32
252 1.35 14
253 3.77 38
282 3.08 31
296 1.51 15
338 6.07 61
339 1.73 17
//