MassBank Record: KO001552



 Orcinol; LC-ESI-QQ; MS2; CE:50 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001552
RECORD_TITLE: Orcinol; LC-ESI-QQ; MS2; CE:50 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID O013

CH$NAME: Orcinol CH$NAME: 5-Methyl-1,3-benzenediol CH$NAME: 3,5-Dihydroxytoluene CH$NAME: 5-Methylresorcinol CH$NAME: 3,5-Toluenediol CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H8O2 CH$EXACT_MASS: 124.05243 CH$SMILES: Cc(c1)cc(O)cc(O)1 CH$IUPAC: InChI=1S/C7H8O2/c1-5-2-6(8)4-7(9)3-5/h2-4,8-9H,1H3 CH$LINK: CAS 504-15-4 CH$LINK: CHEBI 16536 CH$LINK: KEGG C00727 CH$LINK: NIKKAJI J6.215D CH$LINK: PUBCHEM SID:3992
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 123 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0006-9000000000-60831ed807e2d8c8f419 PK$NUM_PEAK: 5 PK$PEAK: m/z int. rel.int. 38.900 64356.5 21 41.000 3034656.5 999 62.200 34653.5 11 65.300 103960.5 34 81.200 128713.0 42 //