MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002349
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002349
RECORD_TITLE: CYCLOHEXANE; 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$NAME: CYCLOHEXANE
CH$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$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-0a4l-9000000000-14e97092ea29e622dae3
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
40 51.34 513
42 27.71 277
43 13 130
50 1.08 11
51 1.7 17
53 3.23 32
54 5.41 54
55 31.6 316
56 99.99 999
57 4.59 46
67 2.39 24
68 1.78 18
69 22.78 228
70 1.18 12
83 3.81 38
84 60.47 605
85 3.87 39
//