MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006781
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006781
RECORD_TITLE: CYCLOOCTENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: CYCLOOCTENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H14
CH$EXACT_MASS: 110.10955
CH$SMILES: C(C1)CCC=CCC1
CH$IUPAC: InChI=1S/C8H14/c1-2-4-6-8-7-5-3-1/h1-2H,3-8H2/b2-1-
CH$LINK: INCHIKEY
URYYVOIYTNXXBN-UPHRSURJSA-N
CH$LINK: COMPTOX
DTXSID20883615
AC$INSTRUMENT: HITACHI RMU-7M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0159-9000000000-51f21957f9c9187bcd72
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
27 6.32 63
28 1.18 12
29 4.09 41
39 16.45 165
40 3.18 32
41 43.64 436
42 4.45 45
43 2.73 27
51 2.64 26
52 1.5 15
53 10 100
54 72.95 730
55 20.45 205
56 9.55 96
65 3.68 37
66 5 50
67 99.99 999
68 38.73 387
69 17.45 175
70 2.68 27
77 3.36 34
79 6.23 62
80 3 30
81 50.86 509
82 65.59 656
83 5.68 57
91 1.36 14
95 19.45 195
109 1.14 11
110 43.64 436
111 3.86 39
112 1.45 15
//