MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012232
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012232
RECORD_TITLE: 1-TRIDECENE; 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$NAME: 1-TRIDECENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H26
CH$EXACT_MASS: 182.20345
CH$SMILES: CCCCCCCCCCCC=C
CH$IUPAC: InChI=1S/C13H26/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3H,1,4-13H2,2H3
CH$LINK: CAS
2437-56-1
CH$LINK: INCHIKEY
VQOXUMQBYILCKR-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3029235
AC$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: splash10-01wk-9400000000-2ba0ec20f0b2ccfde7b0
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
55 4.67 47
57 73.39 734
58 3.05 31
69 22.01 220
70 3.22 32
71 89.41 894
72 4.89 49
81 2.52 25
82 1.53 15
83 75.54 755
84 6.36 64
85 77.55 776
86 4.85 49
95 2.1 21
96 1.18 12
97 99.99 999
98 8.61 86
99 51.39 514
100 3.89 39
109 1.07 11
111 53.78 538
112 5.31 53
113 27.02 270
114 2.38 24
125 28.53 285
126 3.15 32
127 18.06 181
128 1.81 18
139 7.42 74
140 1.24 12
141 9.95 100
142 1.13 11
155 2.47 25
169 1.3 13
181 24.62 246
182 8.34 83
183 45.52 455
184 6.44 64
//