MassBank Record: TY000090



 Osthole; LC-ESI-ITTOF; MS; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: TY000090
RECORD_TITLE: Osthole; LC-ESI-ITTOF; MS; [M+H]+
DATE: 2016.01.19 (Created 2008.12.13, modified 2011.05.06)
AUTHORS: Ken TANAKA
LICENSE: CC BY-SA

CH$NAME: Osthole CH$NAME: 2H-1-Benzopyran-2-one, 7-methoxy-8-(3-methyl-2-buten-1-yl)- CH$NAME: 2H-1-Benzopyran-2-one, 7-methoxy-8-(3-methyl-2-butenyl)- CH$NAME: Coumarin, 7-methoxy-8-(3-methyl-2-butenyl)- CH$NAME: 7-Methoxy-8-(3-methyl-2-butenyl)coumarin CH$NAME: 7-Methoxy-8-isopentenylcoumarin CH$NAME: 8-(3-Methyl-2-butenyl)herniarin CH$NAME: Osthol CH$NAME: Ostol CH$NAME: Ostole CH$COMPOUND_CLASS: Natural Product; Coumarin CH$FORMULA: C15H16O3 CH$EXACT_MASS: 244.10994 CH$SMILES: CC(C)=CCc(c(OC)1)c(O2)c(C=CC(=O)2)cc1 CH$IUPAC: InChI=1S/C15H16O3/c1-10(2)4-7-12-13(17-3)8-5-11-6-9-14(16)18-15(11)12/h4-6,8-9H,7H2,1-3H3 CH$LINK: CAS 484-12-8 CH$LINK: NIKKAJI J12.542C CH$LINK: PUBCHEM CID:10228
AC$INSTRUMENT: Shimadzu LC20A-IT-TOFMS AC$INSTRUMENT_TYPE: LC-ESI-ITTOF AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: CDL_TEMPERATURE 200 C AC$MASS_SPECTROMETRY: INTERFACE_VOLTAGE +4.50 kV AC$MASS_SPECTROMETRY: SCANNING 0.1 sec/scan AC$MASS_SPECTROMETRY: SCANNING_RANGE 100-1500 AC$CHROMATOGRAPHY: COLUMN_NAME Waters Atlantis T3 (2.1 x 150 mm, 5 um) AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 40 C AC$CHROMATOGRAPHY: FLOW_GRADIENT 10 % B to 100 % B/40 min AC$CHROMATOGRAPHY: FLOW_RATE 0.2 ml/min AC$CHROMATOGRAPHY: RETENTION_TIME 1493.000 AC$CHROMATOGRAPHY: SOLVENT (A)5 mM ammonium acetate, (B)CH3CN
MS$FOCUSED_ION: ION_TYPE [M+H]+
PK$SPLASH: splash10-0002-0290000000-190c9b695e2c448050fb PK$NUM_PEAK: 3 PK$PEAK: m/z int. rel.int. 189.0554 13551819 276 245.1174 49098531 999 246.1207 7091456 144 //