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Atom-Mass pairs
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Submission id: KO000891
Outputs for Gallic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]-
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO000891
Synonyms: Gallate, Pyrogallol-5-carboxylic acid, 3,4,5-Trihydroxybenzoate, 3,4,5-Trihydroxybenzoic acid, Gallic acid
Total mass: 170.1193
Formula: H6 C7 O5
Experimental information
MS type: MS2
Instrument: API3000, Applied Biosystems
Instrument type: LC-ESI-QQ
Ionization mode: NEGATIVE
CAMP general report:
Acceptable mass threshold: 2.0158
Out of range queried mass peaks:
Replicated queried mass peaks: 42.9, 54.8, 80.1, 81.0, 108.0, 124.0, 125.1,
Processing time: 0:00:01.931607
Results for the quried mass "79.3"
Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
C5O1 |
0.223 |
3 |
0 |
C1,C2,C3,C5,C6,O10 |
C5O1 |
0.223 |
3 |
0 |
C1,C2,C3,C4,C6,O10 |
C5O1 |
0.223 |
3 |
1 |
C1,C2,C3,C5,C7,O11 |
C5O1 |
0.223 |
3 |
0 |
C1,C2,C3,C5,C7,O12 |
C5O1 |
0.223 |
3 |
0 |
C1,C2,C3,C4,C5,O8 |
C5O1 |
0.223 |
3 |
0 |
C1,C2,C3,C5,C6,O9 |
C5O1 |
0.223 |
3 |
0 |
C1,C2,C3,C5,C7,O9 |
C5O1 |
0.223 |
3 |
0 |
C1,C2,C3,C4,C5,O9 |
C5O1 |
0.223 |
3 |
0 |
C1,C2,C4,C5,C6,O9 |
C5O1 |
0.223 |
3 |
0 |
C1,C2,C4,C5,C6,O10 |
C5O1 |
0.223 |
3 |
0 |
C1,C2,C4,C5,C6,O8 |
C5O1 |
0.223 |
3 |
1 |
C1,C3,C4,C5,C6,O9 |
C5O1 |
0.223 |
3 |
1 |
C1,C3,C4,C6,C7,O10 |
C5O1 |
0.223 |
3 |
1 |
C1,C3,C4,C6,C7,O12 |
C5O1 |
0.223 |
3 |
1 |
C1,C2,C3,C4,C7,O11 |
C5O1 |
0.223 |
3 |
0 |
C1,C2,C3,C4,C7,O12 |
C5O1 |
0.223 |
3 |
0 |
C1,C2,C3,C4,C7,O8 |
C5O1 |
0.223 |
3 |
1 |
C1,C3,C4,C5,C6,O8 |
C5O1 |
0.223 |
3 |
0 |
C1,C2,C3,C4,C6,O8 |
C5O1 |
0.223 |
3 |
1 |
C1,C3,C4,C6,C7,O8 |
C5O1 |
0.223 |
3 |
1 |
C2,C3,C4,C5,C6,O8 |
C5O1 |
0.223 |
3 |
1 |
C2,C3,C5,C6,C7,O10 |
C5O1 |
0.223 |
3 |
1 |
C2,C3,C5,C6,C7,O12 |
C5O1 |
0.223 |
3 |
1 |
C2,C3,C4,C5,C6,O9 |
C5O1 |
0.223 |
3 |
1 |
C2,C3,C5,C6,C7,O9 |
C5O1 |
0.223 |
3 |
1 |
C1,C3,C4,C5,C6,O10 |
C5O1 |
0.223 |
3 |
1 |
C2,C3,C4,C5,C6,O10 |
C4O2 |
0.266 |
1 |
0 |
C1,C2,C3,C7,O11,O12 |
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