MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012237
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012237
RECORD_TITLE: 1-HEPTADECENE; 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$NAME: 1-HEPTADECENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H34
CH$EXACT_MASS: 238.26605
CH$SMILES: CCCCCCCCCCCCCCCC=C
CH$IUPAC: InChI=1S/C17H34/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3H,1,4-17H2,2H3
CH$LINK: CAS
6765-39-5
CH$LINK: INCHIKEY
ADOBXTDBFNCOBN-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID00873236
AC$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: splash10-000j-8960000000-3b4808fff6b07b1200e7
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
55 2.21 22
57 29.79 298
69 11.86 119
71 41.51 415
72 2.21 22
81 2.31 23
83 43.19 432
84 3.63 36
85 33.6 336
86 2 20
95 2.07 21
97 86.14 861
98 7.16 72
99 29.21 292
100 2.36 24
111 49.48 495
112 5.02 50
113 26.59 266
114 2.28 23
125 33.66 337
126 3.88 39
127 24.71 247
128 2.53 25
139 24.65 247
140 3.15 32
141 24.97 250
142 2.74 27
153 19.02 190
154 2.57 26
155 21.88 219
156 2.72 27
167 13.64 136
168 2.08 21
169 14.72 147
170 2.03 20
181 8.82 88
183 11.19 112
195 3.8 38
197 7.42 74
211 2.18 22
237 86.84 868
238 23.87 239
239 99.99 999
240 18.27 183
267 4.89 49
//