MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008880
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008880
RECORD_TITLE: TRANS-1,2-CYCLOHEXANEDIOL; 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$NAME: TRANS-1,2-CYCLOHEXANEDIOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H12O2
CH$EXACT_MASS: 116.08373
CH$SMILES: OC(C1)C(O)CCC1
CH$IUPAC: InChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6-/m1/s1
CH$LINK: INCHIKEY
PFURGBBHAOXLIO-PHDIDXHHSA-N
CH$LINK: COMPTOX
DTXSID7075347
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$SPLASH: splash10-05i3-9000000000-fb5f696297452fa045c1
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
14 1.99 20
15 7.69 77
19 2.95 30
26 5.96 60
27 40.42 404
28 13.13 131
29 41.83 418
30 5.25 53
31 22.36 224
38 3.59 36
39 33.57 336
40 5.57 56
41 36.58 366
42 24.92 249
43 29.79 298
44 29.21 292
45 5.96 60
50 2.31 23
51 3.52 35
53 5.38 54
54 6.6 66
55 21.01 210
56 8.97 90
57 56.89 569
58 3.97 40
60 3.59 36
67 5.7 57
68 3.72 37
69 22.17 222
70 99.99 999
71 6.66 67
79 3.84 38
80 9.03 90
81 4.61 46
83 33.18 332
97 7.05 71
98 30.62 306
99 4.16 42
116 8.33 83
//