MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001805
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001805
RECORD_TITLE: CYCLOHEXANONE; 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$NAME: CYCLOHEXANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H10O
CH$EXACT_MASS: 98.07316
CH$SMILES: O=C(C1)CCCC1
CH$IUPAC: InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2
CH$LINK: INCHIKEY
JHIVVAPYMSGYDF-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6020359
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$SPLASH: splash10-0a4l-9000000000-ef33444a3514a2701f27
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
15 1.55 16
18 1.4 14
26 2.95 30
27 17.55 176
28 10.25 103
29 6.6 66
38 1.94 19
39 18.87 189
40 5.12 51
41 31.21 312
42 67.47 675
43 11.02 110
50 1.16 12
51 1.48 15
53 2.33 23
54 7.38 74
55 99.99 999
56 11.34 113
57 1.55 16
69 25.93 259
70 19.72 197
71 1.55 16
80 4.11 41
83 7.38 74
97 1.71 17
98 32.84 328
99 3.03 30
//