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Mrv2104 06072104352D

55 61  0  0  1  0            999 V2000
   23.5590  -12.6195    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   23.9703  -13.3347    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   23.9728  -11.9057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   24.7978  -11.9072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2090  -12.6224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2718  -13.3707    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   22.7383  -14.0738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7171  -12.6037    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   23.5646  -14.0637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0308  -12.6205    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.6933  -12.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   21.8922  -12.5922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1885  -14.5633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3701  -14.4590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.3691  -13.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8686  -12.4892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2318  -12.2807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2328  -13.5939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8706  -15.1157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8717  -16.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.1895  -15.8765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0523  -15.0114    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8283  -18.7115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3288  -19.3681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6477  -20.1290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4661  -20.2333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1483  -20.7856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4671  -21.5465    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   15.7063  -21.8654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7860  -22.3073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2280  -21.2276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8 10  1  0  0  0  0
  9  1  1  0  0  0  0
 10  2  1  0  0  0  0
  1  2  1  0  0  0  0
 11 12  1  1  0  0  0
 11 13  1  0  0  0  0
  7 12  1  1  0  0  0
 13 14  1  0  0  0  0
  7  9  1  0  0  0  0
 14  9  1  0  0  0  0
  1 15  1  1  0  0  0
  9 16  1  6  0  0  0
  2 17  1  6  0  0  0
 14 18  1  6  0  0  0
 19  5  2  0  0  0  0
  6 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22  4  1  0  0  0  0
  7 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 11  1  0  0  0  0
 24 25  1  1  0  0  0
 24 26  1  6  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 28  1  0  0  0  0
 33 34  1  0  0  0  0
 32 35  1  0  0  0  0
 31 36  1  0  0  0  0
 30 37  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 43 38  1  0  0  0  0
 39 44  1  0  0  0  0
 37 44  1  0  0  0  0
 38 45  1  0  0  0  0
 45 46  1  0  0  0  0
 41 47  1  0  0  0  0
 47 48  2  0  0  0  0
 48 49  1  0  0  0  0
 49 50  2  0  0  0  0
 49 51  1  0  0  0  0
 51 52  1  0  0  0  0
 52 53  1  4  0  0  0
 52 54  1  4  0  0  0
 52 55  1  4  0  0  0
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 — 4 of approximately 4 results

PHUB002054 Score: 1.0	Mascaroside III precursor	C₃₆H₄₄O₁₃ Mono mass: 684.278191477
PHUB002055 Score: 0.971	Mascaroside IV precursor	C₃₇H₄₆O₁₄ Mono mass: 714.288756161
PHUB002062 Score: 0.815	Mozambioside 70717-95-2 precursor	C₂₆H₃₆O₁₀ Mono mass: 508.230847359
PHUB002056 Score: 0.773	Mascaroside V precursor	C₂₃H₃₀O₅ Mono mass: 386.209324066