MassBank Record: NGA02270



 1-Hydroxy-2-methoxyanthraquinone; 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: NGA02270
RECORD_TITLE: 1-Hydroxy-2-methoxyanthraquinone; 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, Organic chemicals, Polycyclic compounds, Anthracenes

CH$NAME: 1-Hydroxy-2-methoxyanthraquinone CH$COMPOUND_CLASS: Polycyclic aromatic natural products CH$FORMULA: C15H10O4 CH$EXACT_MASS: 254.24455000000003 CH$SMILES: COc1ccc2c(c1O)C(=O)c1ccccc1C2=O CH$IUPAC: InChI=1S/C15H10O4/c1-19-11-7-6-10-12(15(11)18)14(17)9-5-3-2-4-8(9)13(10)16/h2-7,18H,1H3 CH$LINK: CAS 6003-11-8 CH$LINK: PUBCHEM CID:72353 CH$LINK: INCHIKEY BYQWRZGQEZAOPQ-UHFFFAOYSA-N
AC$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$SPLASH: splash10-0a4i-0190000000-cd1d0d45813abc6cb978 PK$NUM_PEAK: 52 PK$PEAK: m/z int. rel.int. 180.4 1.2 1 180.5 2.83 2 180.6 5.54 5 180.7 8.94 8 180.8 12.38 12 180.9 15.17 15 181.0 16.51 16 181.1 15.98 15 181.2 13.96 13 181.3 11.17 11 181.4 7.8 7 181.5 4.15 4 208.3 0.28 0 208.4 2.29 2 208.5 6.14 6 208.6 9.67 9 208.7 10.96 10 208.8 10.83 10 208.9 11.8 11 209.0 14.58 14 209.1 17.12 17 209.2 16.98 16 209.3 13.45 13 209.4 7.87 7 209.5 2.73 2 239.5 3.19 3 239.6 5.18 5 239.7 10.3 10 239.8 17.54 17 239.9 24.32 24 240.0 28.03 28 240.1 27.03 27 240.2 21.3 21 240.3 12.91 12 240.4 5.31 5 240.5 1.26 1 254.2 1.8 1 254.3 2.91 2 254.4 4.36 4 254.5 7.5 7 254.6 14.79 14 254.7 28.91 28 254.8 50.3 50 254.9 74.39 74 255.0 92.94 92 255.1 100.0 99 255.2 94.97 94 255.3 79.42 79 255.4 55.15 55 255.5 27.63 27 255.6 6.76 6 255.7 0.0 0 //