MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003635
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003635
RECORD_TITLE: CYCLOHEXYLMETHANOL; 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$NAME: CYCLOHEXYLMETHANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H14O
CH$EXACT_MASS: 114.10447
CH$SMILES: OCC(C1)CCCC1
CH$IUPAC: InChI=1S/C7H14O/c8-6-7-4-2-1-3-5-7/h7-8H,1-6H2
CH$LINK: INCHIKEY
VSSAZBXXNIABDN-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3059212
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a5c-9000000000-ca0e6eb77702d8e0081a
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
15 2.6 26
26 3.2 32
27 20.5 205
29 1.81 18
31 11 110
38 2.9 29
39 17.3 173
40 0.2 2
41 57.8 578
42 6 60
43 6.7 67
51 0.28 3
53 5 50
54 11.2 112
55 99.99 999
56 0.85 9
57 6 60
66 3 30
67 32.5 325
68 1.2 12
69 4 40
77 3 30
79 2.2 22
81 2.85 29
82 22 220
83 54.5 545
84 4 40
93 2.4 24
95 0.3 3
96 13 130
97 3 30
//