MassBank Record: NGA03021



 osthol; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: NGA03021
RECORD_TITLE: osthol; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa TCSRS, RIKEN, Okano ACSRS, RIKEN, CSRS, RIKEN
LICENSE: BY-CC
COMMENT: Origin: Plant, Coumarins

CH$NAME: osthol CH$COMPOUND_CLASS: Benzopyranoids CH$FORMULA: C15H16O3 CH$EXACT_MASS: 244.29297000000003 CH$SMILES: COc1ccc2ccc(=O)oc2c1CC=C(C)C CH$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: PUBCHEM CID:9811 CH$LINK: INCHIKEY MBRLOUHOWLUMFF-UHFFFAOYSA-N
AC$INSTRUMENT: Agilent 6410 Triple Quadrupole LC/MS system AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000i-0920000000-1e72f9e183cd9ccda00b PK$NUM_PEAK: 29 PK$PEAK: m/z int. rel.int. 188.2 0.24 0 188.3 1.33 1 188.4 4.82 4 188.5 12.04 12 188.6 23.75 23 188.7 39.93 39 188.8 59.49 59 188.9 79.23 79 189.0 94.08 93 189.1 100.0 99 189.2 95.86 95 189.3 81.81 81 189.4 58.84 58 189.5 31.82 31 189.6 9.57 9 189.7 0.34 0 244.4 0.87 0 244.5 2.11 2 244.6 4.18 4 244.7 7.52 7 244.8 12.68 12 244.9 19.21 19 245.0 25.08 25 245.1 28.27 28 245.2 28.21 28 245.3 25.21 25 245.4 19.33 19 245.5 11.4 11 245.6 4.01 4 //