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Mrv2104 05032310232D

14 15  0  0  0  0            999 V2000
   -2.7902   -0.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5046   -0.8374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5046   -1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7902   -2.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0757   -1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0757   -0.8374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2911   -1.9175    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8061   -1.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2910   -0.5827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0359    0.2018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2154    0.2881    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5551    0.8430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2191   -0.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0395   -0.5112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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
  6  1  1  0  0  0  0
  8  9  2  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 12  2  0  0  0  0
 10 11  1  0  0  0  0
  7  8  1  0  0  0  0
  5  7  1  0  0  0  0
  2 13  1  0  0  0  0
 13 14  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

PHUB002949 Score: 1.0		5-Methoxyindole-3-carboxaldehyde metabolite	C₁₀H₉NO₂ Mono mass: 175.063328534
PHUB002948 Score: 0.769		Indole-3-carboxaldehyde metabolite	C₉H₇NO Mono mass: 145.052763849