MassBank Record: NGA00587



 Meranzin; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: NGA00587
RECORD_TITLE: Meranzin; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [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$SPLASH: splash10-000i-0910000000-9bf0b956ad69b852109b PK$NUM_PEAK: 26 PK$PEAK: m/z int. rel.int. 188.1 2.28 2 188.2 4.93 4 188.3 7.63 7 188.4 8.94 8 188.5 10.85 10 188.6 19.55 19 188.7 40.28 40 188.8 69.35 69 188.9 93.35 93 189.0 100.0 99 189.1 89.2 89 189.2 70.05 69 189.3 49.42 49 189.4 28.9 28 189.5 10.95 10 189.6 1.66 1 242.4 1.79 1 242.5 3.06 3 242.6 5.61 5 242.7 9.56 9 242.8 13.66 13 242.9 15.54 15 243.0 13.79 13 243.1 9.64 9 243.2 5.7 5 243.3 3.34 3 //