MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001547
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001547
RECORD_TITLE: CYCLOHEXANONE; 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$NAME: CYCLOHEXANONE
CH$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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-052f-9000000000-88641988de1851f0ca4a
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
14 1.53 15
15 3.26 33
26 4.9 49
27 26.23 262
28 10.7 107
29 9.08 91
37 1.55 16
38 3.75 38
39 27.88 279
40 7.7 77
41 38.48 385
42 64.13 641
43 12.2 122
50 2.15 22
51 2.28 23
52 1.13 11
53 3.36 34
54 8.9 89
55 99.99 999
56 10.9 109
57 1.85 19
67 1.15 12
68 1.03 10
69 32.23 322
70 24.78 248
71 2.28 23
80 6.78 68
81 10.11 101
97 3.18 32
98 45.21 452
99 3.38 34
//