MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002389
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002389
RECORD_TITLE: CYCLOHEXANONE; 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$NAME: CYCLOHEXANONE
CH$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$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-052f-9000000000-e12b443f04b3874cc4a3
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
41 35.18 352
42 58.45 585
43 22.89 229
51 1.49 15
53 2.61 26
54 9.11 91
55 99.99 999
56 12.47 125
58 5.56 56
59 1.96 20
67 1.49 15
68 2 20
69 29.01 290
70 2 20
71 2.38 24
80 4.48 45
83 9.06 91
97 2.24 22
98 30.56 306
99 2.24 22
//