MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001552
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001552
RECORD_TITLE: CYCLOHEXENE; 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$NAME: CYCLOHEXENE
CH$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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0gb9-9000000000-8be3bedc6ca04cf9c466
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
15 1.2 12
26 3.29 33
27 18.01 180
28 3.69 37
29 2.79 28
37 1.28 13
38 3.16 32
39 33.65 337
40 4.6 46
41 35.69 357
42 2.79 28
50 5.23 52
51 8.04 80
52 3.88 39
53 11.71 117
54 72.01 720
55 5.15 52
63 1.38 14
65 3.88 39
66 2.58 26
67 99.99 999
68 5.88 59
77 4.97 50
78 1.43 14
79 6.77 68
80 1.04 10
81 10.72 107
82 38.65 387
83 2.59 26
//