ACCESSION: MSBNK-RIKEN_NPDepo-NGA02271
RECORD_TITLE: 1-Hydroxy-2-methoxyanthraquinone; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [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$SPLASH: splash10-0a4i-0090000000-4e8b66e0da64f88dabac
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  239.8 3.57 3
  239.9 5.12 5
  240.0 6.57 6
  240.1 7.11 7
  240.2 6.32 6
  240.3 4.38 4
  240.4 2.13 2
  254.3 1.73 1
  254.4 4.55 4
  254.5 10.34 10
  254.6 19.07 19
  254.7 31.85 31
  254.8 50.25 50
  254.9 72.35 72
  255.0 91.28 91
  255.1 100.0 99
  255.2 96.04 95
  255.3 80.34 80
  255.4 55.5 55
  255.5 27.75 27
  255.6 7.27 7
  255.7 0.04 0
//