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9867509
  Mrv2104 06072104232D

31 34  0  0  1  0            999 V2000
    4.5079   -1.1591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.0784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -2.3966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -3.2216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.7466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223   -3.2216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223    1.7284    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    6.6648   -0.7752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1347    1.7483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    2.9659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.9841    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7934   -2.3966    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0789   -1.1591    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5079   -1.9841    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7934   -0.7466    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2223   -2.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    1.3159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223    0.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    0.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    1.3159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    1.7284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6743    0.0497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6743    1.7570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    2.5534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    1.3159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4219    0.4737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4219    1.3330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    2.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    1.7284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    2.5534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
 15  2  1  1  0  0  0
  2 17  1  0  0  0  0
 11  3  1  1  0  0  0
 12  4  1  6  0  0  0
 13  5  1  6  0  0  0
  6 16  1  0  0  0  0
  7 18  2  0  0  0  0
  7 21  1  0  0  0  0
  8 23  1  0  0  0  0
  9 28  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  1  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 22  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 23  2  0  0  0  0
 21 24  2  0  0  0  0
 22 25  2  0  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
 25 29  1  0  0  0  0
 26 30  2  0  0  0  0
 27 28  2  0  0  0  0
 29 31  2  0  0  0  0
 30 31  1  0  0  0  0
M  CHG  1   7   1
M  END

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(+)-Catechin
  Mrv1572001071604202D

21 23  0  0  1  0            999 V2000
    2.0414   -2.6714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3269   -2.2589    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6125   -2.6714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1020   -2.2589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8165   -2.6714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8165   -3.4964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5310   -2.2589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5310   -1.4339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2454   -1.0214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8165   -1.0214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1020   -1.4339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6125   -1.0214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3269   -1.4339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0414   -1.0214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0414   -0.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7559    0.2161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4703   -0.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1848    0.2161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4703   -1.0214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7559   -1.4339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1848   -1.4339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  4 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  2 13  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 14 20  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 10 11  1  0  0  0  0
  8  7  1  0  0  0  0
  4  5  1  0  0  0  0
M  END

Results 1 — 30 of approximately 100 results

PHUB000506 Score: 1.0	Pelargonidin 3-O-glucoside 18466-51-8 precursor	C₂₁H₂₁O₁₀ Mono mass: 433.112923296
PHUB000502 Score: 0.97	Cyanidin 3-O-galactoside precursor	C₂₁H₂₁O₁₁ Mono mass: 449.107837916
PHUB000503 Score: 0.97	Cyanidin 3-O-glucoside 7084-24-4 precursor	C₂₁H₂₁O₁₁ Mono mass: 449.107837916
PHUB002650 Score: 0.97	Cyanidin-3-glucoside 7084-24-4 precursor	C₂₁H₂₁O₁₁ Mono mass: 449.107837916
PHUB000504 Score: 0.96	Cyanidin 3-O-rutinoside precursor	C₂₇H₃₁O₁₅ Mono mass: 595.165746718
PHUB000500 Score: 0.951	Cyanidin 3-O-diglucoside precursor	C₂₇H₃₁O₁₆ Mono mass: 611.160661338
PHUB000499 Score: 0.945	Cyanidin 3-O-arabinoside precursor	C₂₀H₁₉O₁₀ Mono mass: 419.097273232
PHUB000498 Score: 0.941	Cyanidin 3,5-O-diglucoside 20905-74-2 precursor	C₂₇H₃₁O₁₆ Mono mass: 611.160661338
PHUB000501 Score: 0.923	Cyanidin 3-O-diglucoside-5-O-glucoside precursor	C₃₃H₄₁O₂₁ Mono mass: 773.21348476
PHUB000653 Score: 0.858	Kaempferol 3-O-glucoside precursor	C₂₁H₂₀O₁₁ Mono mass: 448.100561464
PHUB000684 Score: 0.858	Kaempferol 3-O-rhamnoside precursor	C₂₁H₁₉O₁₀ Mono mass: 431.098370392
PHUB000728 Score: 0.858	Trifolin precursor	C₂₁H₂₀O₁₁ Mono mass: 448.100561464
PHUB000681 Score: 0.85	Kaempferol 3-O-glucosyl-rhamnosyl-galactoside precursor	C₃₃H₄₀O₂₀ Mono mass: 756.211293688
PHUB000682 Score: 0.85	Kaempferol 3-O-glucosyl-rhamnosyl-glucoside precursor	C₃₃H₄₀O₂₀ Mono mass: 756.211293688
PHUB000686 Score: 0.85	Kaempferol 3-O-rutinoside precursor	C₂₇H₃₀O₁₅ Mono mass: 594.158470266
PHUB000689 Score: 0.85	Kaempferol 3-O-xylosyl-glucoside precursor	C₂₆H₂₈O₁₅ Mono mass: 580.142820202
PHUB000690 Score: 0.85	Kaempferol 3-O-xylosyl-rutinoside precursor	C₃₃H₄₀O₁₉ Mono mass: 740.216379068
PHUB000685 Score: 0.846	Kaempferol 3-O-rhamnosyl-rhamnosyl-glucoside precursor	C₃₃H₄₀O₁₉ Mono mass: 740.216379068
PHUB000687 Score: 0.843	Kaempferol 3-O-sophoroside precursor	C₂₇H₃₀O₁₆ Mono mass: 610.153384886
PHUB000660 Score: 0.835	Quercetin 3-O-galactoside precursor metabolite	C₂₁H₂₀O₁₂ Mono mass: 464.095476084
PHUB000661 Score: 0.835	Isoquercitrin 482-35-9 precursor	C₂₁H₂₀O₁₂ Mono mass: 464.095476084
PHUB000673 Score: 0.835	Kaempferol 3,7,4'-O-triglucoside precursor	C₃₃H₄₀O₂₁ Mono mass: 772.206208308
PHUB000674 Score: 0.835	Kaempferol 3,7-O-diglucoside precursor	C₂₇H₃₀O₁₆ Mono mass: 610.153384886
PHUB000680 Score: 0.835	Kaempferol 3-O-galactoside 7-O-rhamnoside precursor	C₂₇H₃₀O₁₅ Mono mass: 594.158470266
PHUB000696 Score: 0.835	Myricetin 3-O-galactoside precursor	C₂₁H₂₀O₁₃ Mono mass: 480.090390704
PHUB000699 Score: 0.835	Myricitrin precursor	C₂₁H₂₀O₁₂ Mono mass: 464.095476084
PHUB000720 Score: 0.835	Quercitrin precursor	C₂₁H₂₀O₁₁ Mono mass: 448.100561464
PHUB000698 Score: 0.828	Myricetin 3-O-rutinoside precursor	C₂₇H₃₀O₁₇ Mono mass: 626.148299506
PHUB000709 Score: 0.828	Quercetin 3-O-glucosyl-rhamnosyl-galactoside precursor	C₃₃H₄₀O₂₁ Mono mass: 772.206208308
PHUB000710 Score: 0.828	Quercetin 3-O-glucosyl-rhamnosyl-glucoside precursor	C₃₃H₄₀O₂₁ Mono mass: 772.206208308
PHUB000711 Score: 0.828	Quercetin 3-O-glucosyl-xyloside precursor	C₂₆H₂₈O₁₆ Mono mass: 596.137734822