ACCESSION: MSBNK-RIKEN_NPDepo-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 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$SPLASH: splash10-0a4i-0190000000-cd1d0d45813abc6cb978
PK$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
//