MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006797
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006797
RECORD_TITLE: CYCLOOCTANE; 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$NAME: CYCLOOCTANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H16
CH$EXACT_MASS: 112.12520
CH$SMILES: C(C1)CCCCCC1
CH$IUPAC: InChI=1S/C8H16/c1-2-4-6-8-7-5-3-1/h1-8H2
CH$LINK: INCHIKEY
WJTCGQSWYFHTAC-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9075377
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$SPLASH: splash10-0a4l-9000000000-33f4f43ebc5ea8c56f5c
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
15 1.4 14
27 26.79 268
28 8.38 84
29 22.22 222
39 35.43 354
40 6.35 64
41 86.48 865
42 52.38 524
43 39.24 392
51 2.67 27
53 8.89 89
54 9.78 98
55 90.29 903
56 99.99 999
57 16.83 168
67 11.81 118
68 20.95 210
70 62.79 628
71 7.87 79
82 13.21 132
83 53.52 535
84 37.78 378
97 9.65 97
110 1.84 18
111 12.13 121
112 48.13 481
113 4.19 42
//