MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006951
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006951
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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-052f-9000000000-6c26c5016354e3daff39
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
15 2.98 30
26 6.52 65
27 29.97 300
28 10.95 110
29 6.28 63
37 1.4 14
38 3.75 38
39 33.99 340
40 5.94 59
41 38.31 383
42 67.75 678
43 11.06 111
44 1.04 10
50 1.85 19
51 2.61 26
53 3.35 34
54 6.28 63
55 99.99 999
56 10.41 104
57 1.09 11
69 25.26 253
70 21.98 220
71 1.27 13
80 3.71 37
83 7.11 71
97 1.47 15
98 36.42 364
99 2.31 23
//