MassBank Record: KO001771



 Rhein; LC-ESI-QQ; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001771
RECORD_TITLE: Rhein; LC-ESI-QQ; MS2; CE:20 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 R037

CH$NAME: Rhein CH$COMPOUND_CLASS: N/A CH$FORMULA: C15H8O6 CH$EXACT_MASS: 284.03209 CH$SMILES: OC(=O)c(c3)cc(c(=O)1)c(c(O)3)c(=O)c(c(O)2)c(ccc2)1 CH$IUPAC: InChI=1S/C15H8O6/c16-9-3-1-2-7-11(9)14(19)12-8(13(7)18)4-6(15(20)21)5-10(12)17/h1-5,16-17H,(H,20,21) CH$LINK: CAS 478-43-3 CH$LINK: KEGG C10401 CH$LINK: NIKKAJI J12.584I CH$LINK: PUBCHEM SID:12587
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 283 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-000i-0090000000-8a0c3c4f77482fc05626 PK$NUM_PEAK: 17 PK$PEAK: m/z int. rel.int. 59.100 79208.0 2 78.900 24752.5 1 96.800 138614.0 3 117.300 94059.5 2 119.200 450495.5 9 131.600 44554.5 1 139.000 19802.0 1 169.300 24752.5 1 183.000 118812.0 2 201.100 138614.0 3 210.900 183168.5 4 239.200 51435695.0 999 245.600 29703.0 1 247.300 24752.5 1 254.900 74257.5 1 257.000 1277229.0 25 283.300 2990102.0 58 //