ACCESSION: MSBNK-RIKEN_NPDepo-NGA01099
RECORD_TITLE: Conferone; 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, Coumarins, Coumarin terpenoids, Sesquiterpenoids, Ferula terpenoids

CH$NAME: Conferone
CH$COMPOUND_CLASS: Benzopyranoids
CH$FORMULA: C₂₄H₂₈O₄
CH$EXACT_MASS: 380.4884
CH$SMILES: CC1=CCC2C(C)(C)C(=O)CC[C@]2(C)[C@@H]1COc1ccc2ccc(=O)oc2c1
CH$IUPAC: InChI=1S/C24H28O4/c1-15-5-9-20-23(2,3)21(25)11-12-24(20,4)18(15)14-27-17-8-6-16-7-10-22(26)28-19(16)13-17/h5-8,10,13,18,20H,9,11-12,14H2,1-4H3/t18-,20?,24-/m1/s1
CH$LINK: CAS 41743-47-9
CH$LINK: CHEMSPIDER 4475196
CH$LINK: INCHIKEY VPAXJOUATWLOPR-JGJQPKLHSA-N
CH$LINK: PUBCHEM CID:16396747

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$SPLASH: splash10-03di-0911000000-621629a22ae1e2dc3641
PK$NUM_PEAK: 200
PK$PEAK: m/z int. rel.int.
  92.7 1.91 1
  92.8 3.55 3
  92.9 5.04 5
  93.0 5.52 5
  93.1 4.93 4
  93.2 3.89 3
  93.3 2.86 2
  94.6 1.88 1
  94.7 3.19 3
  94.8 5.06 5
  94.9 7.23 7
  95.0 8.9 8
  95.1 9.23 9
  95.2 8.01 8
  95.3 5.77 5
  95.4 3.33 3
  106.5 2.0 1
  106.6 3.01 3
  106.7 3.72 3
  106.8 4.62 4
  106.9 6.24 6
  107.0 8.3 8
  107.1 9.77 9
  107.2 9.69 9
  107.3 7.78 7
  107.4 4.72 4
  107.5 1.8 1
  108.6 1.72 1
  108.7 2.96 2
  108.8 5.22 5
  108.9 7.97 7
  109.0 9.86 9
  109.1 10.08 10
  109.2 9.22 9
  109.3 8.01 8
  109.4 6.25 6
  109.5 3.7 3
  109.6 1.19 1
  118.6 1.42 1
  118.7 2.85 2
  118.8 5.05 5
  118.9 7.76 7
  119.0 9.66 9
  119.1 9.36 9
  119.2 7.03 7
  119.3 4.26 4
  119.4 2.23 2
  120.7 2.57 2
  120.8 3.74 3
  120.9 5.06 5
  121.0 6.64 6
  121.1 7.87 7
  121.2 7.61 7
  121.3 5.54 5
  121.4 2.82 2
  132.6 1.66 1
  132.7 3.65 3
  132.8 6.17 6
  132.9 8.21 8
  133.0 9.6 9
  133.1 11.02 11
  133.2 12.29 12
  133.3 11.74 11
  133.4 8.38 8
  133.5 3.71 3
  134.6 2.32 2
  134.7 3.34 3
  134.8 4.14 4
  134.9 5.02 5
  135.0 6.33 6
  135.1 7.7 7
  135.2 8.25 8
  135.3 7.44 7
  135.4 5.48 5
  135.5 3.07 3
  144.5 1.87 1
  144.6 3.82 3
  144.7 6.92 6
  144.8 10.32 10
  144.9 12.92 12
  145.0 14.16 14
  145.1 14.26 14
  145.2 14.02 14
  145.3 13.65 13
  145.4 12.07 12
  145.5 8.3 8
  145.6 3.52 3
  146.8 2.89 2
  146.9 4.2 4
  147.0 5.58 5
  147.1 6.15 6
  147.2 5.33 5
  147.3 3.54 3
  147.4 1.73 1
  158.4 1.11 1
  158.5 2.06 2
  158.6 3.56 3
  158.7 6.23 6
  158.8 9.94 9
  158.9 13.64 13
  159.0 16.16 16
  159.1 16.78 16
  159.2 15.5 15
  159.3 12.96 12
  159.4 9.85 9
  159.5 6.42 6
  159.6 2.98 2
  160.5 1.86 1
  160.6 2.61 2
  160.7 4.56 4
  160.8 8.88 8
  160.9 15.07 15
  161.0 20.5 20
  161.1 22.97 22
  161.2 22.89 22
  161.3 21.71 21
  161.4 19.08 19
  161.5 13.84 13
  161.6 6.97 6
  161.7 1.54 1
  162.1 0.41 0
  162.2 1.52 1
  162.3 3.69 3
  162.4 7.93 7
  162.5 15.31 15
  162.6 25.83 25
  162.7 39.5 39
  162.8 56.8 56
  162.9 76.1 76
  163.0 92.27 92
  163.1 100.0 99
  163.2 96.62 96
  163.3 81.28 81
  163.4 55.64 55
  163.5 26.9 26
  163.6 5.4 5
  163.7 0.04 0
  172.7 1.8 1
  172.8 3.19 3
  172.9 4.56 4
  173.0 5.29 5
  173.1 5.73 5
  173.2 6.82 6
  173.3 8.37 8
  173.4 8.69 8
  173.5 6.59 6
  173.6 3.16 3
  174.7 1.83 1
  174.8 3.39 3
  174.9 5.75 5
  175.0 8.34 8
  175.1 10.14 10
  175.2 10.03 10
  175.3 7.8 7
  175.4 4.54 4
  175.5 1.83 1
  190.8 1.69 1
  190.9 3.28 3
  191.0 4.87 4
  191.1 5.58 5
  191.2 5.25 5
  191.3 4.25 4
  191.4 2.88 2
  200.4 1.68 1
  200.5 3.47 3
  200.6 5.99 5
  200.7 9.96 9
  200.8 16.05 16
  200.9 23.71 23
  201.0 31.29 31
  201.1 37.21 37
  201.2 40.41 40
  201.3 39.85 39
  201.4 34.39 34
  201.5 24.31 24
  201.6 12.65 12
  201.7 3.8 3
  218.7 1.27 1
  218.8 2.64 2
  218.9 5.11 5
  219.0 7.69 7
  219.1 9.14 9
  219.2 9.34 9
  219.3 8.92 8
  219.4 7.85 7
  219.5 5.61 5
  219.6 2.66 2
  380.5 1.54 1
  380.6 2.77 2
  380.7 4.67 4
  380.8 8.0 7
  380.9 13.23 13
  381.0 19.64 19
  381.1 25.65 25
  381.2 29.56 29
  381.3 29.77 29
  381.4 25.19 25
  381.5 16.71 16
  381.6 7.65 7
  381.7 1.49 1
//