MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012241
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012241
RECORD_TITLE: 1-DOCOSENE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: IIDA Y, DAISHIMA S, FAC. OF ENGINEERING, SEIKEI UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 1-DOCOSENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C22H44
CH$EXACT_MASS: 308.34430
CH$SMILES: CCCCCCCCCCCCCCCCCCCCC=C
CH$IUPAC: InChI=1S/C22H44/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-22H2,2H3
CH$LINK: CAS
1599-67-3
CH$LINK: INCHIKEY
SPURMHFLEKVAAS-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5029219
AC$INSTRUMENT: FINNIGAN-MAT 4500
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 120 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS METHANE
PK$SPLASH: splash10-0a4i-0219000000-faf1f519a2a21d904383
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
57 1.31 13
69 1.09 11
71 2.37 24
83 3.97 40
85 2.32 23
97 10.89 109
99 2.39 24
111 7.66 77
113 2.75 28
125 5.85 59
127 3.15 32
139 4.92 49
141 3.62 36
153 4.48 45
155 4.11 41
167 4.07 41
169 4.56 46
181 3.75 38
183 4.85 49
195 3.62 36
197 5.4 54
209 3.51 35
211 6.2 62
212 1.05 11
223 3.28 33
225 5.74 57
237 2.8 28
239 4.07 41
251 2.23 22
253 3.14 31
265 1.62 16
267 2.21 22
279 1.18 12
293 3.89 39
307 99.99 999
308 28.82 288
309 76.53 765
310 17.19 172
311 1.9 19
337 5.29 53
338 1.38 14
349 1.07 11
//