MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012233
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012233
RECORD_TITLE: 1-DODECENE; 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$NAME: 1-DODECENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H24
CH$EXACT_MASS: 168.18780
CH$SMILES: CCCCCCCCCCC=C
CH$IUPAC: InChI=1S/C12H24/c1-3-5-7-9-11-12-10-8-6-4-2/h3H,1,4-12H2,2H3
CH$LINK: CAS
112-41-4
CH$LINK: INCHIKEY
CRSBERNSMYQZNG-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5026914
AC$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: splash10-07j2-9400000000-f41caa1b0c6529bd6b2f
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
55 5.59 56
57 73.06 731
58 3.28 33
69 23.23 232
70 3.11 31
71 88.96 890
72 5.07 51
81 2.23 22
82 1.32 13
83 74.77 748
84 6.64 66
85 80.81 808
86 5.35 54
95 2.16 22
96 1.17 12
97 99.99 999
98 9.02 90
99 45.73 457
100 3.65 37
109 1.38 14
111 65.64 656
112 6.73 67
113 34.03 340
114 3.02 30
125 17.97 180
126 2.58 26
127 18.56 186
128 1.88 19
139 1.42 14
141 3.66 37
155 1.96 20
167 25.85 259
168 10.1 101
169 63.21 632
170 8.3 83
//