MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012236
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012236
RECORD_TITLE: 1-HEXADECENE; 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$NAME: 1-HEXADECENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H32
CH$EXACT_MASS: 224.25040
CH$SMILES: CCCCCCCCCCCCCCC=C
CH$IUPAC: InChI=1S/C16H32/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3H,1,4-16H2,2H3
CH$LINK: CAS
629-73-2
CH$LINK: INCHIKEY
GQEZCXVZFLOKMC-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1027269
AC$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: splash10-00ba-9850000000-34b41fca7732e951547a
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
55 2.48 25
57 38.51 385
58 1.59 16
69 13.46 135
70 2.21 22
71 51.19 512
72 2.83 28
82 1.57 16
83 48.4 484
84 4.24 42
85 42.86 429
86 2.78 28
95 2.3 23
97 91.82 918
98 7.83 78
99 35.77 358
100 2.77 28
111 55.49 555
112 5.6 56
113 32.71 327
114 2.8 28
125 37.68 377
126 4.1 41
127 31.63 316
128 3.3 33
139 26.97 270
140 3.4 34
141 27.85 279
142 3.17 32
153 19 190
154 2.56 26
155 18.84 188
156 2.16 22
167 12.09 121
168 1.77 18
169 14.39 144
181 4.54 45
183 9.07 91
197 2.66 27
211 1.69 17
223 71.12 711
224 19.9 199
225 99.99 999
226 17.13 171
253 3.23 32
//