MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008145
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008145
RECORD_TITLE: TRICOSANE; 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$NAME: TRICOSANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C23H48
CH$EXACT_MASS: 324.37560
CH$SMILES: CCCCCCCCCCCCCCCCCCCCCCC
CH$IUPAC: InChI=1S/C23H48/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h3-23H2,1-2H3
CH$LINK: INCHIKEY
FIGVVZUWCLSUEI-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7047699
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$SPLASH: splash10-052f-9000000000-57d59760fb19a88b8aae
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
41 38.68 387
42 19.82 198
43 84.79 848
45 1.2 12
56 19.63 196
57 99.99 999
58 8.64 86
68 3.11 31
70 8.56 86
71 70.71 707
72 3.63 36
82 2.16 22
83 1.17 12
84 6.83 68
85 46.96 470
86 2.48 25
99 11.83 118
112 1.61 16
113 9.27 93
127 5.05 51
131 1.8 18
135 1.61 16
140 2.69 27
141 4.22 42
155 3.2 32
168 2.13 21
183 3.25 33
197 1.84 18
207 5.01 50
211 1.65 17
224 1.62 16
225 1.15 12
253 1.38 14
324 2.91 29
//