MassBank Record: NGA00586



 Meranzin; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: NGA00586
RECORD_TITLE: Meranzin; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa TCSRS, RIKEN, Okano ACSRS, RIKEN, CSRS, RIKEN
LICENSE: BY-CC
COMMENT: Origin: Plant, Coumarins

CH$NAME: Meranzin CH$COMPOUND_CLASS: Benzopyranoids CH$FORMULA: C15H16O4 CH$EXACT_MASS: 260.29237 CH$SMILES: COc1ccc2ccc(=O)oc2c1CC1OC1(C)C CH$IUPAC: InChI=1S/C15H16O4/c1-15(2)12(19-15)8-10-11(17-3)6-4-9-5-7-13(16)18-14(9)10/h4-7,12H,8H2,1-3H3 CH$LINK: CAS 489-53-2 CH$LINK: PUBCHEM CID:3045741 1411306 CH$LINK: INCHIKEY LSZONYLDFHGRDP-UHFFFAOYSA-N
AC$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$SPLASH: splash10-000i-0900000000-373893d50952f039a7fe PK$NUM_PEAK: 24 PK$PEAK: m/z int. rel.int. 130.5 1.46 1 130.6 5.25 5 130.7 12.92 12 130.8 21.03 21 130.9 24.16 24 131.0 20.17 20 131.1 12.41 12 131.2 5.85 5 188.1 2.64 2 188.2 5.03 5 188.3 7.97 7 188.4 9.23 9 188.5 8.67 8 188.6 13.48 13 188.7 28.13 28 188.8 51.58 51 188.9 76.39 76 189.0 94.34 94 189.1 99.92 99 189.2 89.67 89 189.3 64.13 64 189.4 32.08 32 189.5 7.12 7 189.6 0.0 0 //