ACCESSION: MSBNK-RIKEN_NPDepo-NGA01929
RECORD_TITLE: Usnone A; 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
COMMENT: SubCategory_DNP: Triterpenoids

CH$NAME: Usnone A
CH$COMPOUND_CLASS: Terpenoids
CH$FORMULA: C₁₈H₁₆O₇
CH$EXACT_MASS: 344.324
CH$SMILES: CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(C(C)=O)C(=O)[C@@]12C
CH$IUPAC: InChI=1S/C18H16O7/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24/h5,11,22-23H,1-4H3/t11?,18-/m0/s1
CH$LINK: CAS 6159-66-6
CH$LINK: CHEMSPIDER 405880
CH$LINK: INCHIKEY CUCUKLJLRRAKFN-MCEAHNFKSA-N
CH$LINK: PUBCHEM CID:461310

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$SPLASH: splash10-0059-0096000000-9acbdaa53c65a6d54a6a
PK$NUM_PEAK: 219
PK$PEAK: m/z int. rel.int.
  186.9 1.61 1
  187.0 3.2 3
  187.1 5.41 5
  187.2 6.44 6
  187.3 5.22 5
  190.7 2.05 2
  190.8 3.69 3
  190.9 5.62 5
  191.0 6.9 6
  191.1 7.14 7
  191.2 6.47 6
  191.3 5.0 4
  200.7 1.82 1
  200.8 3.67 3
  200.9 6.68 6
  201.0 8.96 8
  201.1 8.44 8
  201.2 5.37 5
  214.5 1.58 1
  214.6 5.88 5
  214.7 12.15 12
  214.8 16.42 16
  214.9 16.65 16
  215.0 16.27 16
  215.1 19.17 19
  215.2 22.57 22
  215.3 20.25 20
  215.4 11.74 11
  215.5 3.33 3
  216.6 1.44 1
  216.7 3.33 3
  216.8 6.18 6
  216.9 7.94 7
  217.0 7.02 7
  217.1 4.31 4
  218.5 1.7 1
  218.6 3.61 3
  218.7 5.57 5
  218.8 6.91 6
  218.9 9.42 9
  219.0 14.82 14
  219.1 20.52 20
  219.2 21.34 21
  219.3 15.9 15
  219.4 8.31 8
  219.5 3.08 3
  232.2 2.65 2
  232.3 5.1 5
  232.4 9.59 9
  232.5 15.97 15
  232.6 25.15 25
  232.7 39.35 39
  232.8 58.94 58
  232.9 78.84 78
  233.0 90.6 90
  233.1 89.95 89
  233.2 79.76 79
  233.3 64.04 63
  233.4 43.71 43
  233.5 21.3 21
  233.6 4.15 4
  242.7 3.06 3
  242.8 7.72 7
  242.9 18.24 18
  243.0 26.9 26
  243.1 25.42 25
  243.2 14.99 14
  243.3 4.44 4
  256.5 2.63 2
  256.6 4.12 4
  256.7 8.04 8
  256.8 12.93 12
  256.9 16.91 16
  257.0 20.0 19
  257.1 22.63 22
  257.2 23.06 23
  257.3 18.94 18
  257.4 11.31 11
  257.5 4.34 4
  260.3 0.92 0
  260.4 3.66 3
  260.5 10.25 10
  260.6 17.17 17
  260.7 20.4 20
  260.8 22.29 22
  260.9 30.44 30
  261.0 48.03 47
  261.1 67.5 67
  261.2 75.17 75
  261.3 62.88 62
  261.4 36.3 36
  261.5 11.19 11
  261.6 0.11 0
  266.6 3.74 3
  266.7 5.34 5
  266.8 7.17 7
  266.9 8.3 8
  267.0 7.53 7
  267.1 4.98 4
  270.8 1.5 1
  270.9 3.72 3
  271.0 7.22 7
  271.1 9.63 9
  271.2 8.78 8
  271.3 5.34 5
  274.7 2.47 2
  274.8 3.88 3
  274.9 5.7 5
  275.0 7.25 7
  275.1 8.03 8
  275.2 7.95 7
  275.3 6.88 6
  275.4 4.87 4
  281.0 3.3 3
  281.1 5.29 5
  281.2 7.37 7
  281.3 8.21 8
  281.4 6.92 6
  281.5 4.16 4
  283.5 1.59 1
  283.6 3.1 3
  283.7 6.02 6
  283.8 10.02 10
  283.9 13.1 13
  284.0 12.81 12
  284.1 8.91 8
  284.2 4.06 4
  284.6 1.19 1
  284.7 5.01 5
  284.8 12.22 12
  284.9 20.72 20
  285.0 26.43 26
  285.1 27.22 27
  285.2 24.48 24
  285.3 20.09 20
  285.4 14.23 14
  285.5 7.52 7
  285.6 2.03 2
  298.8 2.11 2
  298.9 3.63 3
  299.0 6.45 6
  299.1 8.84 8
  299.2 8.68 8
  299.3 5.96 5
  299.4 2.93 2
  302.5 1.59 1
  302.6 2.77 2
  302.7 7.63 7
  302.8 17.75 17
  302.9 28.38 28
  303.0 32.74 32
  303.1 28.93 28
  303.2 20.54 20
  303.3 11.91 11
  303.4 5.3 5
  308.5 0.67 0
  308.6 1.34 1
  308.7 9.41 9
  308.8 26.67 26
  308.9 43.95 43
  309.0 50.62 50
  309.1 43.58 43
  309.2 28.85 28
  309.3 14.53 14
  309.4 5.1 5
  311.5 2.42 2
  311.6 4.82 4
  311.7 7.2 7
  311.8 7.79 7
  311.9 6.77 6
  312.0 5.93 5
  312.1 5.71 5
  312.2 4.86 4
  314.4 1.53 1
  314.5 3.88 3
  314.6 6.81 6
  314.7 8.38 8
  314.8 8.91 8
  314.9 10.8 10
  315.0 14.87 14
  315.1 19.03 19
  315.2 21.31 21
  315.3 20.16 20
  315.4 14.96 14
  315.5 7.5 7
  315.6 1.75 1
  326.2 1.26 1
  326.3 3.09 3
  326.4 5.79 5
  326.5 8.12 8
  326.6 11.47 11
  326.7 19.99 19
  326.8 35.68 35
  326.9 56.1 56
  327.0 77.27 77
  327.1 94.5 94
  327.2 99.63 99
  327.3 84.78 84
  327.4 53.03 52
  327.5 19.97 19
  327.6 1.13 1
  329.5 1.44 1
  329.6 2.41 2
  329.7 7.05 7
  329.8 17.68 17
  329.9 33.51 33
  330.0 48.25 48
  330.1 52.86 52
  330.2 43.39 43
  330.3 25.39 25
  330.4 9.12 9
  330.5 1.04 1
  344.5 1.36 1
  344.6 3.59 3
  344.7 7.46 7
  344.8 10.76 10
  344.9 10.91 10
  345.0 7.84 7
  345.1 4.19 4
//