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Mrv2104 02072310582D

10 10  0  0  0  0            999 V2000
    0.2184    0.2898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2184   -0.5357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4978    0.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9211    0.7026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4978   -0.9552    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.2074    0.2898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6341    0.2933    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9177    1.5180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2074   -0.5357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4978   -1.7638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6  9  1  0  0  0  0
M  CHG  1   5   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 — 6 of approximately 6 results

PHUB002590 Score: 1.0	N1-methyl-nicotinamide 3106-60-3 metabolite	C₇H₉N₂O Mono mass: 137.070939338
PHUB002556 Score: 0.824	Nicotinamide 98-92-0 precursor metabolite	C₆H₆N₂O Mono mass: 122.048012821
PHUB002557 Score: 0.822	N-Methyl-4-pyridone-5-carboxamide 769-49-3 metabolite	C₇H₈N₂O₂ Mono mass: 152.058577506
PHUB002558 Score: 0.787	N-methyl-2-pyridone-5-carboxamide 701-44-0 metabolite	C₇H₈N₂O₂ Mono mass: 152.058577506
PHUB003032 Score: 0.787	N-methyl-2-pyridone-3-carboxamide metabolite	C₇H₈N₂O₂ Mono mass: 152.058577506
PHUB002555 Score: 0.726	N-Methylnicotinamide 114-33-0 metabolite	C₇H₈N₂O Mono mass: 136.063662886