MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005338
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005338
RECORD_TITLE: 4-METHYLCYCLOHEXENE; 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$NAME: 4-METHYLCYCLOHEXENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H12
CH$EXACT_MASS: 96.09390
CH$SMILES: CC(C1)CC=CC1
CH$IUPAC: InChI=1S/C7H12/c1-7-5-3-2-4-6-7/h2-3,7H,4-6H2,1H3
CH$LINK: INCHIKEY
FSWCCQWDVGZMRD-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID10862257
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$SPLASH: splash10-0a59-9000000000-cfbaf1b66e4ae62f3838
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
15 0.88 9
17 1.81 18
18 8.16 82
27 1.46 15
28 16.18 162
29 3.97 40
30 7.94 79
33 0.53 5
38 0.62 6
39 2.16 22
40 32.95 330
41 3.88 39
42 18.96 190
43 3.57 36
44 0.53 5
45 0.62 6
46 0.53 5
47 0.62 6
51 2.87 29
52 5.91 59
53 2.87 29
54 14.77 148
55 74.59 746
56 40.67 407
57 2.25 23
62 0.71 7
63 1.72 17
65 4.01 40
66 3.35 34
67 31.13 311
68 26.46 265
69 1.72 17
77 5.82 58
78 1.46 15
79 9.44 94
80 1.85 19
81 99.99 999
82 6.97 70
91 1.81 18
93 0.79 8
95 6.44 64
96 38.45 385
97 2.95 30
//