MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001551
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001551
RECORD_TITLE: CYCLOHEXANE; 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$NAME: CYCLOHEXANE
CH$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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0a4i-9000000000-fa371e4a0a1a00f32fb2
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
15 0.1 1
26 0.19 2
27 1.54 15
28 0.71 7
29 0.8 8
38 0.16 2
39 2.13 21
40 0.49 5
41 5.34 53
42 2.46 25
43 1.11 11
50 0.18 2
51 0.29 3
52 0.12 1
53 0.47 5
54 0.61 6
55 3.44 34
56 99.99 999
57 0.46 5
67 0.33 3
68 0.23 2
69 3.02 30
70 0.16 2
83 0.59 6
84 9.89 99
85 0.66 7
//