MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012240
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012240
RECORD_TITLE: 1-EICOSENE; 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$NAME: 1-EICOSENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H40
CH$EXACT_MASS: 280.31300
CH$SMILES: CCCCCCCCCCCCCCCCCCC=C
CH$IUPAC: InChI=1S/C20H40/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3H,1,4-20H2,2H3
CH$LINK: CAS
3452-07-1
CH$LINK: INCHIKEY
VAMFXQBUQXONLZ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1029257
AC$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: splash10-003r-3790000000-a242d8ce9c77d593a959
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
57 4 40
69 3.21 32
71 8.73 87
83 16.57 166
85 5.83 58
97 40.98 410
98 3.43 34
99 10.77 108
111 26.97 270
112 3 30
113 13.33 133
125 20.56 206
126 2.6 26
127 13.01 130
139 16.01 160
140 2.03 20
141 14.09 141
153 14.33 143
154 2.1 21
155 14.01 140
167 11.5 115
169 14.62 146
170 2.11 21
181 10.65 107
183 16.13 161
184 2.28 23
195 8.34 83
197 13.48 135
198 2.19 22
209 6.33 63
211 9.11 91
223 4.3 43
225 6.99 70
237 2.42 24
239 4.51 45
265 3.79 38
279 99.99 999
280 26.9 269
281 73.95 740
282 15.25 153
309 6.07 61
//