MassBank Record: NGA00585



 Meranzin; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: NGA00585
RECORD_TITLE: Meranzin; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [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$SPLASH: splash10-001r-0900000000-bb563f24e447202a4325 PK$NUM_PEAK: 38 PK$PEAK: m/z int. rel.int. 102.6 3.37 3 102.7 5.71 5 102.8 9.27 9 102.9 13.22 13 103.0 15.41 15 103.1 13.9 13 103.2 9.29 9 103.3 4.54 4 120.5 2.79 2 120.6 4.55 4 120.7 6.9 6 120.8 8.38 8 120.9 7.62 7 121.0 5.14 5 130.3 0.65 0 130.4 2.37 2 130.5 9.26 9 130.6 26.27 26 130.7 53.71 53 130.8 83.39 83 130.9 99.31 99 131.0 91.65 91 131.1 68.72 68 131.2 47.13 47 131.3 32.88 32 131.4 20.84 20 131.5 8.64 8 131.6 1.01 1 188.5 1.25 1 188.6 4.83 4 188.7 18.66 18 188.8 42.57 42 188.9 65.84 65 189.0 73.71 73 189.1 60.27 60 189.2 34.4 34 189.3 11.36 11 189.4 1.06 1 //