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Mrv2104 03142208122D

13 13  0  0  1  0            999 V2000
   -1.0597   -0.8327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3923    0.2222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0597   -1.0876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0201   -1.8722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3923   -0.6027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3221    0.6347    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3221    1.4597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0366    0.2222    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8048   -1.8722    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2751   -1.0876    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0366    1.8722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3923    1.8722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3923    1.0472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  5  2  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9  3  1  0  0  0  0
  9  4  2  0  0  0  0
 10  1  1  0  0  0  0
 10  4  1  0  0  0  0
 10  5  1  0  0  0  0
 11  7  2  0  0  0  0
 12  7  1  0  0  0  0
  6 13  1  1  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

PHUB002342 Score: 1.0		3-methylhistidine 368-16-1 metabolite	C₇H₁₁N₃O₂ Mono mass: 169.085126606
PHUB002343 Score: 0.849		L-Histidine 71-00-1 precursor	C₆H₉N₃O₂ Mono mass: 155.069476542