MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003881
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003881
RECORD_TITLE: CYCLOHEXANONE OXIME; 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$NAME: CYCLOHEXANONE OXIME
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H11NO
CH$EXACT_MASS: 113.08406
CH$SMILES: ON=C(C1)CCCC1
CH$IUPAC: InChI=1S/C6H11NO/c8-7-6-4-2-1-3-5-6/h8H,1-5H2
CH$LINK: INCHIKEY
VEZUQRBDRNJBJY-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4021842
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-06r6-9300000000-7889173cb546958fcd8c
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
41 75 750
42 33.5 335
54 42 420
55 5.9 59
59 56.5 565
67 30 300
72 45 450
113 99.99 999
//