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MassBank Record: MSBNK-RIKEN_NPDepo-NGA02272

1-Hydroxy-2-methoxyanthraquinone; 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)

ACCESSION: MSBNK-RIKEN_NPDepo-NGA02272
RECORD_TITLE: 1-Hydroxy-2-methoxyanthraquinone; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
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: 254.2446
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: CHEMSPIDER 72353
CH$LINK: INCHIKEY BYQWRZGQEZAOPQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30208759
CH$LINK: PUBCHEM CID:80103

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$SPLASH: splash10-0a4i-0090000000-25955a9f7806ce8b46db
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  254.2 0.23 0
  254.3 0.9 0
  254.4 4.16 4
  254.5 12.49 12
  254.6 26.23 26
  254.7 43.05 43
  254.8 60.73 60
  254.9 77.95 77
  255.0 92.15 92
  255.1 100.0 99
  255.2 99.65 99
  255.3 89.34 89
  255.4 67.06 66
  255.5 36.58 36
  255.6 9.93 9
  255.7 0.0 0
//

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