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Mrv2104 06072104182D

44 48  0  0  0  0            999 V2000
 9998.2253 9998.1498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9996.7974 9998.9795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.5123 9999.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9995.3695 9995.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9996.0844 9998.5636    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
10001.0859 9998.1498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.0859 9996.4984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.6535 9995.6728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.3676 9995.2611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.9404 9998.5636    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 9995.3701 9998.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9994.6556 9997.7335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9994.6556 9996.9085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9995.3701 9996.4961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.7974 9998.1459    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9996.0830 9997.7334    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9996.0830 9996.9084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.7974 9996.4960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.5118 9996.9084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.5118 9997.7334    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9999.6545 9998.1498    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9998.9401 9997.7373    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9998.9401 9996.9123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.6545 9996.4999    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10000.3689 9996.9123    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10000.3689 9997.7373    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10000.3678 9999.3852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.6532 9998.9732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.0829 9998.9724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.936810000.2115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.368410002.6912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.5121 9998.1450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.083410000.6264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.369010000.2139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.654510000.6265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.654510001.4514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.368910001.8640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.083510001.4514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.2276 9999.3853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.5131 9998.9729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.7986 9999.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.798610000.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.513010000.6229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.227610000.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  8  9  1  0  0  0  0
 11 12  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 21 22  1  0  0  0  0
 21 26  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  4  2  0  0  0  0
 20  1  1  6  0  0  0
 15  2  1  1  0  0  0
 14 17  1  0  0  0  0
 11 16  1  0  0  0  0
 16  5  1  6  0  0  0
 22  1  1  0  0  0  0
 22 10  1  6  0  0  0
 24  8  1  1  0  0  0
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 26  6  1  1  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 33 34  2  0  0  0  0
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 38 33  1  0  0  0  0
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 42 43  1  0  0  0  0
 43 44  2  0  0  0  0
 44 39  1  0  0  0  0
 40 32  1  0  0  0  0
 27 34  1  0  0  0  0
 33 42  1  0  0  0  0
 37 31  1  0  0  0  0
 35 30  1  0  0  0  0
 21 28  1  6  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 — 1 of approximately 1 results

PHUB000026 Score: 1.0		Amarogentin precursor	C₂₉H₃₀O₁₃ Mono mass: 586.168641026