MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001845
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001845
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$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0a4l-9000000000-c9adeb7bca08187b71b6
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
27 11.09 111
28 12.66 127
29 6.65 67
39 15.52 155
40 3.6 36
41 54.16 542
42 24.12 241
43 10.54 105
44 1.85 19
53 2.59 26
54 4.16 42
55 32.07 321
56 99.99 999
57 3.42 34
67 1.85 19
69 25.79 258
83 2.96 30
84 62.66 627
85 3.05 31
//