MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006786
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006786
RECORD_TITLE: CYCLOHEXENE; 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$NAME: CYCLOHEXENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H10
CH$EXACT_MASS: 82.07825
CH$SMILES: C(C1)CC=CC1
CH$IUPAC: InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2
CH$LINK: INCHIKEY
HGCIXCUEYOPUTN-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9038717
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$SPLASH: splash10-014i-9000000000-495741c6e5113617b1cb
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
26 2.03 20
27 11.71 117
28 3.42 34
29 1.74 17
38 2.03 20
39 20.93 209
40 2.9 29
41 22.55 226
42 1.91 19
50 2.9 29
51 4.35 44
52 2.32 23
53 7.07 71
54 46.72 467
55 3.42 34
65 2.26 23
66 1.51 15
67 99.99 999
68 6.03 60
77 2.84 28
79 4 40
81 7.42 74
82 30.14 301
83 2.02 20
//