MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006890
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006890
RECORD_TITLE: CYCLOHEXANE; 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$NAME: CYCLOHEXANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H12
CH$EXACT_MASS: 84.09390
CH$SMILES: C(C1)CCCC1
CH$IUPAC: InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2
CH$LINK: INCHIKEY
XDTMQSROBMDMFD-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4021923
AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0a4l-9000000000-34ac8fd123caac81b782
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
15 2.75 28
26 4.02 40
27 30.39 304
28 12.18 122
29 10.91 109
38 2.39 24
39 34.44 344
40 5.52 55
41 71.56 716
42 30.92 309
43 12.75 128
50 2.34 23
51 3.68 37
52 1.55 16
53 5.6 56
54 6.4 64
55 37.87 379
56 99.99 999
57 3.73 37
67 2.91 29
68 1.72 17
69 23.03 230
70 1.41 14
83 4.37 44
84 59.02 590
85 3.23 32
//