ACCESSION: MSBNK-RIKEN_NPDepo-NGA02269
RECORD_TITLE: 1-Hydroxy-2-methoxyanthraquinone; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [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$SPLASH: splash10-000x-0690000000-b3ff28073f6e9874b1e7
PK$NUM_PEAK: 289
PK$PEAK: m/z int. rel.int.
  138.6 1.87 1
  138.7 3.72 3
  138.8 6.34 6
  138.9 8.2 8
  139.0 7.89 7
  139.1 5.65 5
  139.2 3.12 3
  140.9 1.46 1
  141.0 3.87 3
  141.1 7.42 7
  141.2 9.49 9
  141.3 8.22 8
  141.4 4.76 4
  151.5 2.54 2
  151.6 4.09 4
  151.7 5.37 5
  151.8 6.25 6
  151.9 7.29 7
  152.0 9.23 9
  152.1 11.85 11
  152.2 13.41 13
  152.3 12.28 12
  152.4 9.4 9
  155.6 2.65 2
  155.7 4.15 4
  155.8 5.4 5
  155.9 5.78 5
  156.0 5.05 5
  156.1 3.53 3
  166.5 1.69 1
  166.6 4.12 4
  166.7 7.93 7
  166.8 11.68 11
  166.9 13.66 13
  167.0 13.15 13
  167.1 10.73 10
  167.2 7.68 7
  167.3 4.94 4
  167.4 2.9 2
  180.0 2.43 2
  180.1 4.13 4
  180.2 6.49 6
  180.3 8.83 8
  180.4 10.28 10
  180.5 10.8 10
  180.6 13.42 13
  180.7 24.1 24
  180.8 44.68 44
  180.9 66.25 66
  181.0 77.02 76
  181.1 77.61 77
  181.2 78.04 77
  181.3 78.47 78
  181.4 66.89 66
  181.5 39.9 39
  181.6 11.83 11
  181.7 0.06 0
  182.3 1.04 1
  182.4 2.26 2
  182.5 5.08 5
  182.6 8.7 8
  182.7 11.45 11
  182.8 12.67 12
  182.9 13.26 13
  183.0 13.65 13
  183.1 13.03 13
  183.2 10.94 10
  183.3 8.49 8
  183.6 7.16 7
  183.7 9.58 9
  183.8 17.35 17
  183.9 29.59 29
  184.0 39.8 39
  184.1 41.62 41
  184.2 34.46 34
  184.3 22.76 22
  184.4 11.68 11
  184.5 4.29 4
  194.4 2.46 2
  194.5 4.81 4
  194.6 9.09 9
  194.7 14.61 14
  194.8 19.67 19
  194.9 22.52 22
  195.0 21.96 21
  195.1 17.88 17
  195.2 11.85 11
  195.3 6.32 6
  195.4 2.93 2
  196.6 1.77 1
  196.7 3.09 3
  196.8 4.75 4
  196.9 5.66 5
  197.0 5.21 5
  197.1 4.2 4
  197.2 3.83 3
  197.3 4.21 4
  197.4 4.26 4
  197.5 3.35 3
  197.6 2.06 2
  197.7 1.27 1
  197.8 1.13 1
  197.9 1.24 1
  198.0 1.33 1
  198.1 1.37 1
  198.2 1.38 1
  198.3 1.35 1
  198.4 1.31 1
  198.5 1.3 1
  198.6 1.3 1
  198.7 1.31 1
  198.8 1.32 1
  198.9 1.32 1
  199.0 1.31 1
  199.1 1.28 1
  199.2 1.26 1
  199.3 1.29 1
  199.4 1.35 1
  199.5 1.37 1
  199.6 1.35 1
  199.7 1.32 1
  199.8 1.32 1
  199.9 1.31 1
  200.0 1.29 1
  200.1 1.28 1
  200.2 1.28 1
  200.3 1.29 1
  200.4 1.29 1
  200.5 1.31 1
  200.6 1.34 1
  200.7 1.37 1
  200.8 1.36 1
  200.9 1.32 1
  201.0 1.3 1
  201.1 1.33 1
  201.2 1.35 1
  201.3 1.34 1
  201.4 1.31 1
  201.5 1.31 1
  201.6 1.31 1
  201.7 1.3 1
  201.8 1.29 1
  201.9 1.32 1
  202.0 1.37 1
  202.1 1.39 1
  202.2 1.35 1
  202.3 1.3 1
  202.4 1.3 1
  202.5 1.3 1
  202.6 1.29 1
  202.7 1.28 1
  202.8 1.3 1
  202.9 1.32 1
  203.0 1.31 1
  203.1 1.28 1
  203.2 1.28 1
  203.3 1.31 1
  203.4 1.33 1
  203.5 1.32 1
  203.6 1.3 1
  203.7 1.29 1
  203.8 1.28 1
  203.9 1.27 1
  204.0 1.28 1
  204.1 1.31 1
  204.2 1.31 1
  204.3 1.3 1
  204.4 1.3 1
  204.5 1.33 1
  204.6 1.34 1
  204.7 1.33 1
  204.8 1.31 1
  204.9 1.32 1
  205.0 1.33 1
  205.1 1.32 1
  205.2 1.28 1
  205.3 1.27 1
  205.4 1.29 1
  205.5 1.32 1
  205.6 1.31 1
  205.7 1.3 1
  205.8 1.3 1
  205.9 1.3 1
  206.0 1.29 1
  206.1 1.3 1
  206.2 1.3 1
  206.3 1.28 1
  206.4 1.25 1
  206.5 1.26 1
  206.6 1.36 1
  206.7 1.54 1
  206.8 1.68 1
  206.9 1.67 1
  207.0 1.53 1
  207.1 1.38 1
  207.2 1.28 1
  207.3 1.24 1
  207.4 1.25 1
  207.5 1.33 1
  207.6 1.41 1
  207.7 1.43 1
  207.8 1.39 1
  207.9 1.34 1
  208.0 1.3 1
  208.1 1.25 1
  208.2 1.3 1
  208.3 1.55 1
  208.4 1.76 1
  208.5 1.79 1
  208.6 2.33 2
  208.7 4.47 4
  208.8 8.07 8
  208.9 12.62 12
  209.0 19.55 19
  209.1 29.54 29
  209.2 37.03 36
  209.3 33.84 33
  209.4 20.05 20
  209.5 5.6 5
  210.4 1.83 1
  210.5 3.38 3
  210.6 4.75 4
  210.7 4.67 4
  210.8 3.2 3
  210.9 2.22 2
  211.0 3.41 3
  211.1 6.09 6
  211.2 8.09 8
  211.3 8.39 8
  211.4 8.63 8
  211.5 12.33 12
  211.6 22.57 22
  211.7 38.95 38
  211.8 55.19 55
  211.9 63.36 63
  212.0 61.47 61
  212.1 53.58 53
  212.2 42.76 42
  212.3 29.09 29
  212.4 14.56 14
  212.5 4.22 4
  225.5 2.55 2
  225.6 5.39 5
  225.7 7.73 7
  225.8 8.23 8
  225.9 8.39 8
  226.0 10.77 10
  226.1 14.39 14
  226.2 14.92 14
  226.3 10.51 10
  226.4 4.47 4
  238.2 2.3 2
  238.3 3.86 3
  238.4 6.51 6
  238.5 8.8 8
  238.6 9.51 9
  238.7 10.06 10
  238.8 13.52 13
  238.9 20.64 20
  239.0 28.51 28
  239.1 33.19 33
  239.2 32.79 32
  239.3 29.2 29
  239.4 27.82 27
  239.5 33.51 33
  239.6 46.81 46
  239.7 64.14 64
  239.8 81.1 81
  239.9 93.89 93
  240.0 100.0 99
  240.1 99.81 99
  240.2 94.33 94
  240.3 80.74 80
  240.4 56.16 56
  240.5 26.88 26
  240.6 6.22 6
  254.3 1.44 1
  254.4 3.69 3
  254.5 6.48 6
  254.6 8.19 8
  254.7 8.99 8
  254.8 10.95 10
  254.9 14.78 14
  255.0 18.06 18
  255.1 17.79 17
  255.2 13.84 13
  255.3 8.69 8
  255.4 4.62 4
  255.5 2.39 2
//