MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007056
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007056
RECORD_TITLE: CYCLOHEXYL FORMATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: CYCLOHEXYL FORMATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H12O2
CH$EXACT_MASS: 128.08373
CH$SMILES: O=COC(C1)CCCC1
CH$IUPAC: InChI=1S/C7H12O2/c8-6-9-7-4-2-1-3-5-7/h6-7H,1-5H2
CH$LINK: CAS
4351-54-6
CH$LINK: INCHIKEY
VUXKVKAHWOVIDN-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2063426
AC$INSTRUMENT: HITACHI M-80B
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: splash10-05o0-9000000000-a2aec3378d1a4e443f77
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
26 1.31 13
27 14.75 148
28 2.71 27
29 19.27 193
31 4.67 47
39 18.63 186
40 2.94 29
41 32.94 329
42 6.88 69
43 9.46 95
44 12.92 129
45 1.39 14
51 2.26 23
53 6.29 63
54 37.37 374
55 28.56 286
56 4.82 48
57 41.09 411
58 2.74 27
66 1.16 12
67 99.6 996
68 6.22 62
69 1.04 10
71 1.97 20
77 1.08 11
79 2.43 24
81 8.71 87
82 99.99 999
83 19.85 199
//