ACCESSION: MSBNK-RIKEN_NPDepo-NGA01691
RECORD_TITLE: Eudesmin; 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

CH$NAME: Eudesmin
CH$COMPOUND_CLASS: Lignans
CH$FORMULA: C₂₂H₂₆O₆
CH$EXACT_MASS: 386.4489
CH$SMILES: COc1ccc([C@H]2OC[C@@H]3[C@@H](c4ccc(OC)c(OC)c4)OC[C@H]23)cc1OC
CH$IUPAC: InChI=1S/C22H26O6/c1-23-17-7-5-13(9-19(17)25-3)21-15-11-28-22(16(15)12-27-21)14-6-8-18(24-2)20(10-14)26-4/h5-10,15-16,21-22H,11-12H2,1-4H3/t15-,16-,21+,22+/m0/s1
CH$LINK: CAS 526-06-7
CH$LINK: CHEMSPIDER 65896 204828
CH$LINK: INCHIKEY PEUUVVGQIVMSAW-RZTYQLBFSA-N
CH$LINK: COMPTOX DTXSID50951699
CH$LINK: PUBCHEM CID:73117

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$SPLASH: splash10-0udi-0669000000-0742538c62a9182e8708
PK$NUM_PEAK: 281
PK$PEAK: m/z int. rel.int.
  150.2 0.68 0
  150.3 2.86 2
  150.4 7.09 7
  150.5 11.97 11
  150.6 18.25 18
  150.7 28.44 28
  150.8 43.41 43
  150.9 59.43 59
  151.0 69.58 69
  151.1 69.55 69
  151.2 60.53 60
  151.3 46.13 46
  151.4 29.3 29
  151.5 13.36 13
  151.6 3.81 3
  164.5 2.2 2
  164.6 3.7 3
  164.7 6.45 6
  164.8 11.21 11
  164.9 17.95 17
  165.0 25.1 25
  165.1 29.67 29
  165.2 29.35 29
  165.3 24.56 24
  165.4 17.7 17
  165.5 10.98 10
  165.6 5.37 5
  165.7 2.2 2
  176.5 0.68 0
  176.6 3.5 3
  176.7 11.23 11
  176.8 21.44 21
  176.9 28.51 28
  177.0 29.85 29
  177.1 28.87 28
  177.2 28.73 28
  177.3 26.69 26
  177.4 19.1 19
  177.5 8.63 8
  177.6 1.48 1
  178.7 2.56 2
  178.8 4.0 3
  178.9 5.53 5
  179.0 6.56 6
  179.1 6.33 6
  179.2 4.76 4
  179.3 2.9 2
  188.4 2.61 2
  188.5 4.11 4
  188.6 7.57 7
  188.7 15.5 15
  188.8 28.25 28
  188.9 42.23 42
  189.0 52.36 52
  189.1 55.53 55
  189.2 51.04 50
  189.3 39.68 39
  189.4 24.29 24
  189.5 10.03 10
  189.6 1.5 1
  190.5 1.41 1
  190.6 2.46 2
  190.7 4.61 4
  190.8 8.08 8
  190.9 11.34 11
  191.0 12.02 12
  191.1 9.8 9
  191.2 6.85 6
  191.3 4.81 4
  191.4 3.4 3
  191.5 1.68 1
  191.9 1.04 1
  192.0 2.58 2
  192.1 4.03 4
  192.2 4.12 4
  192.3 2.76 2
  192.7 0.62 0
  192.8 2.16 2
  192.9 6.1 6
  193.0 10.42 10
  193.1 12.67 12
  193.2 11.83 11
  193.3 8.57 8
  193.4 4.51 4
  193.5 1.37 1
  200.3 0.88 0
  200.4 2.0 1
  200.5 5.19 5
  200.6 10.79 10
  200.7 17.83 17
  200.8 24.89 24
  200.9 31.16 31
  201.0 35.95 35
  201.1 37.71 37
  201.2 34.23 34
  201.3 24.9 24
  201.4 12.84 12
  201.5 3.33 3
  202.4 1.64 1
  202.5 2.54 2
  202.6 3.56 3
  202.7 4.99 4
  202.8 6.85 6
  202.9 8.48 8
  203.0 9.39 9
  203.1 10.2 10
  203.2 11.45 11
  203.3 11.9 11
  203.4 9.77 9
  203.5 5.6 5
  203.6 2.14 2
  218.6 1.82 1
  218.7 3.3 3
  218.8 5.15 5
  218.9 6.13 6
  219.0 5.74 5
  219.1 4.49 4
  219.2 3.05 3
  230.2 0.71 0
  230.3 2.08 2
  230.4 4.19 4
  230.5 6.03 6
  230.6 7.14 7
  230.7 9.05 9
  230.8 13.42 13
  230.9 19.55 19
  231.0 24.77 24
  231.1 27.54 27
  231.2 27.77 27
  231.3 24.53 24
  231.4 16.98 16
  231.5 7.66 7
  231.6 1.15 1
  248.8 1.18 1
  248.9 3.29 3
  249.0 5.54 5
  249.1 5.94 5
  249.2 4.07 4
  249.3 1.66 1
  297.2 1.63 1
  297.3 2.66 2
  297.4 5.13 5
  297.5 9.41 9
  297.6 15.9 15
  297.7 25.62 25
  297.8 39.66 39
  297.9 55.78 55
  298.0 69.11 69
  298.1 77.46 77
  298.2 82.01 81
  298.3 80.43 80
  298.4 66.24 66
  298.5 40.34 40
  298.6 15.94 15
  298.8 8.79 8
  298.9 16.79 16
  299.0 24.24 24
  299.1 30.3 30
  299.2 33.45 33
  299.3 30.75 30
  299.4 21.72 21
  299.5 10.34 10
  299.6 2.46 2
  310.7 2.98 2
  310.8 3.62 3
  310.9 5.41 5
  311.0 7.2 7
  311.1 7.36 7
  311.2 6.16 6
  311.3 4.97 4
  311.4 4.02 4
  311.5 2.72 2
  318.6 1.59 1
  318.7 2.76 2
  318.8 4.91 4
  318.9 7.36 7
  319.0 9.31 9
  319.1 10.6 10
  319.2 11.25 11
  319.3 10.43 10
  319.4 7.33 7
  319.7 2.91 2
  319.8 8.14 8
  319.9 15.18 15
  320.0 21.81 21
  320.1 26.33 26
  320.2 27.16 27
  320.3 22.97 22
  320.4 14.55 14
  320.5 5.8 5
  320.6 0.61 0
  323.6 1.26 1
  323.7 3.61 3
  323.8 6.21 6
  323.9 7.38 7
  324.0 7.32 7
  324.1 7.46 7
  324.2 7.82 7
  324.3 6.94 6
  324.4 4.46 4
  324.5 1.93 1
  335.4 1.26 1
  335.5 2.45 2
  335.6 3.6 3
  335.7 3.86 3
  335.8 3.31 3
  335.9 3.22 3
  336.0 5.08 5
  336.1 9.1 9
  336.2 13.04 13
  336.3 13.51 13
  336.4 9.47 9
  336.5 3.84 3
  338.4 1.03 1
  338.5 2.01 2
  338.6 4.5 4
  338.7 8.99 8
  338.8 15.65 15
  338.9 23.72 23
  339.0 30.57 30
  339.1 33.11 33
  339.2 30.8 30
  339.3 25.6 25
  339.4 18.83 18
  339.5 10.9 10
  339.6 3.61 3
  340.8 1.75 1
  340.9 3.03 3
  341.0 4.48 4
  341.1 4.96 4
  341.2 3.83 3
  341.3 1.93 1
  350.2 0.59 0
  350.3 1.93 1
  350.4 4.55 4
  350.5 9.2 9
  350.6 16.19 16
  350.7 26.8 26
  350.8 42.12 42
  350.9 59.46 59
  351.0 73.95 73
  351.1 84.89 84
  351.2 95.01 94
  351.3 99.97 99
  351.4 87.59 87
  351.5 55.01 54
  351.6 18.42 18
  351.7 0.0 0
  356.8 1.82 1
  356.9 3.46 3
  357.0 4.65 4
  357.1 4.87 4
  357.2 4.59 4
  357.3 4.19 4
  357.4 3.36 3
  368.3 1.31 1
  368.4 2.94 2
  368.5 5.13 5
  368.6 9.06 9
  368.7 16.71 16
  368.8 27.92 27
  368.9 39.75 39
  369.0 48.71 48
  369.1 52.79 52
  369.2 52.04 51
  369.3 47.15 47
  369.4 37.65 37
  369.5 23.62 23
  369.6 9.01 9
  369.7 0.41 0
  386.5 2.46 2
  386.6 3.43 3
  386.7 4.42 4
  386.8 6.28 6
  386.9 9.85 9
  387.0 14.19 14
  387.1 16.78 16
  387.2 15.67 15
  387.3 11.27 11
  387.4 5.86 5
  387.5 1.81 1
//