MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005325
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005325
RECORD_TITLE: METHYLCYCLOHEXANE; 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$NAME: METHYLCYCLOHEXANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H14
CH$EXACT_MASS: 98.10955
CH$SMILES: CC(C1)CCCC1
CH$IUPAC: InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3
CH$LINK: INCHIKEY
UAEPNZWRGJTJPN-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0047749
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$SPLASH: splash10-0a5c-9000000000-c6881e4acb08e32a7f47
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
15 1.02 10
26 1.43 14
27 16.17 162
28 4.09 41
29 13.2 132
38 1.12 11
39 19.64 196
40 3.37 34
41 44.8 448
42 29.67 297
43 7.16 72
50 1.02 10
51 1.94 19
52 1.02 10
53 5.22 52
54 4.81 48
55 77.75 778
56 28.8 288
57 4.91 49
65 1.02 10
67 4.71 47
68 9.21 92
69 21.59 216
70 21.9 219
71 1.22 12
81 1.33 13
82 15.14 151
83 99.99 999
84 6.25 63
97 2.35 24
98 48.84 488
99 3.78 38
//