MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012238
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012238
RECORD_TITLE: 1-OCTADECENE; 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$NAME: 1-OCTADECENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H36
CH$EXACT_MASS: 252.28170
CH$SMILES: CCCCCCCCCCCCCCCCC=C
CH$IUPAC: InChI=1S/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3H,1,4-18H2,2H3
CH$LINK: CAS
112-88-9
CH$LINK: INCHIKEY
CCCMONHAUSKTEQ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3026932
AC$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: splash10-0udi-7890000000-f790ae7a7797f059ab46
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
57 18.46 185
69 8.96 90
71 26.06 261
83 31.95 320
84 2.75 28
85 18.34 183
97 67.58 676
98 5.87 59
99 21.37 214
111 38.55 386
112 3.8 38
113 19.34 193
125 26.03 260
126 2.83 28
127 18.12 181
139 19.31 193
140 2.42 24
141 17.43 174
153 15.5 155
155 18.34 183
156 2.2 22
167 12.64 126
169 16.49 165
170 2.12 21
181 9.34 93
183 11.3 113
195 6.38 64
197 9.09 91
209 2.93 29
211 6.24 62
237 2.56 26
251 99.99 999
252 26.85 269
253 90.74 907
254 17.27 173
281 5.92 59
//