MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001556
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001556
RECORD_TITLE: CYCLOOCTENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0gc3-9000000000-7e2958cf3e602fe1f7d4
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
15 1.56 16
26 2.19 22
27 27.26 273
28 6.89 69
29 11.41 114
38 2.31 23
39 42.47 425
40 8.09 81
41 74.54 745
42 7.49 75
43 4.26 43
50 2.58 26
51 6.23 62
52 3.6 36
53 18.18 182
54 81.04 810
55 24.32 243
56 10.1 101
63 1.44 14
65 5.24 52
66 6.02 60
67 99.99 999
68 39.2 392
69 16.12 161
70 2.82 28
77 4.32 43
78 1.26 13
79 6.95 70
80 3.54 35
81 45.07 451
82 67.51 675
83 5.54 55
84 1.2 12
91 1.68 17
93 1.2 12
94 17.43 174
95 1.53 15
109 1.14 11
110 36.6 366
111 3.18 32
//