MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004796
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004796
RECORD_TITLE: METHYLCYCLOHEXANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
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$LINK: CAS
108-87-2
CH$LINK: INCHIKEY
UAEPNZWRGJTJPN-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0047749
AC$INSTRUMENT: JEOL JMS-D-3000
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: splash10-053r-9000000000-88370d240d0d0b493ed6
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
42 32.27 323
43 4.53 45
51 1.41 14
52 1 10
53 4.29 43
54 4.71 47
55 79.56 796
56 28.85 289
57 4.71 47
67 3.71 37
68 8.48 85
69 23.55 236
70 21.55 216
71 1.29 13
81 1.94 19
82 15.31 153
83 99.99 999
84 5.83 58
97 2.41 24
98 38.33 383
99 2.82 28
//