ACCESSION: MSBNK-RIKEN_NPDepo-NGA03344
RECORD_TITLE: 3',4',6-Trimethoxyflavanone; 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, Pyrans

CH$NAME: 3',4',6-Trimethoxyflavanone
CH$COMPOUND_CLASS: Flavonoids
CH$FORMULA: C₁₈H₁₈O₅
CH$EXACT_MASS: 314.3412
CH$SMILES: COc1ccc2c(c1)C(=O)CC(c1ccc(OC)c(OC)c1)O2
CH$IUPAC: InChI=1S/C18H18O5/c1-20-12-5-7-15-13(9-12)14(19)10-17(23-15)11-4-6-16(21-2)18(8-11)22-3/h4-9,17H,10H2,1-3H3
CH$LINK: INCHIKEY KYRMOZFTJMQBFZ-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:2922801

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$SPLASH: splash10-0f6x-0900000000-32fbba28f970a438695d
PK$NUM_PEAK: 97
PK$PEAK: m/z int. rel.int.
  94.6 2.19 2
  94.7 3.57 3
  94.8 5.35 5
  94.9 7.2 7
  95.0 8.46 8
  95.1 8.67 8
  95.2 7.96 7
  95.3 6.62 6
  95.4 4.74 4
  95.5 2.56 2
  122.5 2.23 2
  122.6 3.73 3
  122.7 5.91 5
  122.8 8.97 8
  122.9 12.29 12
  123.0 14.63 14
  123.1 15.32 15
  123.2 14.52 14
  123.3 12.37 12
  123.4 8.83 8
  123.5 4.59 4
  123.6 1.22 1
  147.6 2.85 2
  147.7 4.42 4
  147.8 6.55 6
  147.9 8.64 8
  148.0 9.95 9
  148.1 10.18 10
  148.2 9.44 9
  148.3 7.87 7
  148.4 5.58 5
  148.5 3.12 3
  150.2 0.83 0
  150.3 2.21 2
  150.4 6.14 6
  150.5 13.36 13
  150.6 24.01 23
  150.7 38.14 38
  150.8 55.06 55
  150.9 71.89 71
  151.0 84.08 83
  151.1 88.08 87
  151.2 82.69 82
  151.3 68.09 68
  151.4 46.22 46
  151.5 22.76 22
  151.6 5.33 5
  151.7 0.0 0
  162.4 2.45 2
  162.5 4.19 4
  162.6 7.32 7
  162.7 12.28 12
  162.8 19.34 19
  162.9 27.63 27
  163.0 34.92 34
  163.1 39.01 38
  163.2 39.07 39
  163.3 35.03 34
  163.4 26.75 26
  163.5 15.53 15
  163.6 5.16 5
  163.7 0.01 0
  175.7 2.35 2
  175.8 3.81 3
  175.9 5.43 5
  176.0 6.58 6
  176.1 6.86 6
  176.2 6.34 6
  176.3 5.38 5
  176.4 4.35 4
  176.5 3.67 3
  176.6 3.87 3
  176.7 5.4 5
  176.8 8.23 8
  176.9 11.59 11
  177.0 14.29 14
  177.1 15.58 15
  177.2 15.39 15
  177.3 13.86 13
  177.4 10.85 10
  177.5 6.62 6
  177.6 2.49 2
  190.3 0.86 0
  190.4 3.13 3
  190.5 8.17 8
  190.6 17.22 17
  190.7 31.28 31
  190.8 50.25 50
  190.9 71.49 71
  191.0 89.78 89
  191.1 100.0 99
  191.2 99.46 99
  191.3 87.33 87
  191.4 64.48 64
  191.5 36.13 36
  191.6 11.8 11
  191.7 0.3 0
//