ACCESSION: MSBNK-RIKEN_NPDepo-NGA01690
RECORD_TITLE: Eudesmin; 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

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$SPLASH: splash10-0uds-0965000000-0c8ce300d636b05659b1
PK$NUM_PEAK: 236
PK$PEAK: m/z int. rel.int.
  150.2 1.84 1
  150.3 4.11 4
  150.4 8.6 8
  150.5 14.04 14
  150.6 19.24 19
  150.7 25.91 25
  150.8 38.35 38
  150.9 58.32 58
  151.0 81.01 80
  151.1 97.41 97
  151.2 99.93 99
  151.3 85.47 85
  151.4 57.37 57
  151.5 26.16 26
  151.6 5.42 5
  164.4 1.44 1
  164.5 3.26 3
  164.6 6.39 6
  164.7 10.11 10
  164.8 13.84 13
  164.9 17.39 17
  165.0 20.28 20
  165.1 21.3 21
  165.2 19.14 19
  165.3 13.81 13
  165.4 7.3 7
  165.7 2.71 2
  165.8 5.08 5
  165.9 6.53 6
  166.0 6.4 6
  166.1 5.12 5
  166.2 3.57 3
  173.5 2.08 2
  173.6 3.21 3
  173.7 4.52 4
  173.8 5.46 5
  173.9 5.71 5
  174.0 5.62 5
  174.1 5.62 5
  174.2 5.33 5
  174.3 4.14 4
  174.7 1.92 1
  174.8 3.73 3
  174.9 5.18 5
  175.0 5.33 5
  175.1 4.13 4
  176.4 0.56 0
  176.5 3.1 3
  176.6 9.73 9
  176.7 17.81 17
  176.8 23.08 23
  176.9 23.31 23
  177.0 21.35 21
  177.1 21.95 21
  177.2 25.16 25
  177.3 25.39 25
  177.4 18.77 18
  177.5 8.74 8
  177.6 1.88 1
  178.7 2.96 2
  178.8 4.52 4
  178.9 7.18 7
  179.0 9.2 9
  179.1 9.29 9
  179.2 8.0 7
  179.3 6.46 6
  179.4 4.79 4
  179.5 2.81 2
  188.5 2.03 2
  188.6 4.74 4
  188.7 12.04 12
  188.8 25.89 25
  188.9 44.09 44
  189.0 59.27 59
  189.1 64.94 64
  189.2 61.13 61
  189.3 51.2 51
  189.4 36.79 36
  189.5 19.71 19
  189.6 5.44 5
  190.6 1.09 1
  190.7 3.56 3
  190.8 7.71 7
  190.9 11.51 11
  191.0 13.49 13
  191.1 13.72 13
  191.2 12.44 12
  191.3 9.44 9
  191.4 5.28 5
  191.5 1.79 1
  200.4 2.25 2
  200.5 5.8 5
  200.6 11.31 11
  200.7 18.66 18
  200.8 27.42 27
  200.9 35.89 35
  201.0 42.04 41
  201.1 45.1 45
  201.2 44.16 44
  201.3 37.24 37
  201.4 24.56 24
  201.5 11.11 11
  201.6 2.96 2
  202.4 1.0 0
  202.5 2.19 2
  202.6 4.83 4
  202.7 9.06 9
  202.8 14.53 14
  202.9 19.25 19
  203.0 21.24 21
  203.1 20.6 20
  203.2 18.85 18
  203.3 16.24 16
  203.4 11.66 11
  203.5 5.68 5
  203.6 1.14 1
  212.7 1.2 1
  212.8 2.72 2
  212.9 4.49 4
  213.0 5.74 5
  213.1 5.88 5
  213.2 4.78 4
  213.3 2.89 2
  230.3 0.84 0
  230.4 2.49 2
  230.5 5.09 5
  230.6 7.32 7
  230.7 8.43 8
  230.8 9.85 9
  230.9 13.86 13
  231.0 20.26 20
  231.1 25.68 25
  231.2 26.85 26
  231.3 23.18 23
  231.4 16.23 16
  231.5 8.45 8
  231.6 2.51 2
  297.1 1.34 1
  297.2 3.12 3
  297.3 4.92 4
  297.4 5.24 5
  297.5 4.09 4
  297.6 4.79 4
  297.7 12.88 12
  297.8 31.27 31
  297.9 54.96 54
  298.0 72.38 72
  298.1 74.74 74
  298.2 63.35 63
  298.3 45.88 45
  298.4 28.28 28
  298.5 13.69 13
  298.8 4.4 4
  298.9 9.86 9
  299.0 15.48 15
  299.1 20.1 20
  299.2 21.5 21
  299.3 17.8 17
  299.4 10.65 10
  299.5 4.2 4
  310.7 1.72 1
  310.8 4.25 4
  310.9 7.96 7
  311.0 10.64 10
  311.1 10.92 10
  311.2 9.11 9
  311.3 6.12 6
  311.4 2.94 2
  318.7 2.12 2
  318.8 3.9 3
  318.9 7.2 7
  319.0 11.52 11
  319.1 15.66 15
  319.2 17.49 17
  319.3 15.31 15
  319.6 9.36 9
  319.7 15.06 15
  319.8 20.81 20
  319.9 24.91 24
  320.0 29.23 29
  320.1 34.77 34
  320.2 37.59 37
  320.3 32.21 32
  320.4 19.21 19
  320.5 6.08 6
  323.6 0.49 0
  323.7 2.43 2
  323.8 5.66 5
  323.9 8.6 8
  324.0 10.01 9
  324.1 10.42 10
  324.2 10.62 10
  324.3 9.81 9
  324.4 6.92 6
  324.5 2.99 2
  335.7 4.88 4
  335.8 6.97 6
  335.9 10.13 10
  336.0 14.03 14
  336.1 16.2 16
  336.2 14.36 14
  336.3 9.47 9
  336.4 4.66 4
  336.5 1.79 1
  338.7 4.75 4
  338.8 6.79 6
  338.9 11.38 11
  339.0 15.19 15
  339.1 15.72 15
  339.2 14.18 14
  339.3 12.26 12
  339.4 9.32 9
  339.5 4.85 4
  339.6 0.98 0
  350.2 0.41 0
  350.3 1.62 1
  350.4 4.45 4
  350.5 8.72 8
  350.6 12.6 12
  350.7 15.88 15
  350.8 20.94 20
  350.9 29.6 29
  351.0 40.66 40
  351.1 50.5 50
  351.2 54.03 53
  351.3 46.64 46
  351.4 29.37 29
  351.5 10.78 10
  351.6 0.58 0
  368.7 2.19 2
  368.8 3.55 3
  368.9 6.6 6
  369.0 9.56 9
  369.1 9.85 9
  369.2 7.06 7
  369.3 3.53 3
//