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Mrv2104 02132310172D

18 19  0  0  1  0            999 V2000
    8.2661   -3.2225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1798   -4.0429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3728   -4.2145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9603   -3.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5123   -2.8870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2575   -2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1534   -3.3285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8985   -2.5439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4505   -1.9308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4096   -1.9850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4096   -2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1240   -3.2225    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.6950   -3.2225    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6950   -4.0475    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.9806   -2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9806   -4.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4096   -4.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6950   -4.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 13 14  1  1  0  0  0
 15 13  1  0  0  0  0
  1 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
M  CHG  2  12  -1  14   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 — 2 of approximately 2 results

PHUB003093 Score: 1.0		Hypaphorine 487-58-1 precursor	C₁₄H₁₈N₂O₂ Mono mass: 246.136827828
PHUB001837 Score: 0.922		Tryptophan precursor	C₁₁H₁₂N₂O₂ Mono mass: 204.089877634