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Mrv2104 06072104342D

15 17  0  0  0  0            999 V2000
   -3.7944    1.0632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6194    1.0632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0319    0.3487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6194   -0.3657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7944   -0.3657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3819    0.3488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2424    1.6763    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4887    1.3407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5750    0.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9075    0.0353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1538    0.3709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0676    1.1914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7351    1.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6488    2.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0319   -1.0802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  1  7  1  0  0  0  0
  6  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
 13 14  1  0  0  0  0
  4 15  1  0  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 — 2 of approximately 2 results

PHUB001910 Score: 1.0		6-hydroxy-1-methyl-1,2,3,4-tetrahydro-beta-carboline precursor	C₁₂H₁₄N₂O Mono mass: 202.110613079
PHUB001954 Score: 0.913		6-hydroxy-1-methyl-1,2,3,4-tetrahydro-beta-carboline sulfate metabolite	C₁₂H₁₄N₂O₄S Mono mass: 282.067428113