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Atom-Mass pairs
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Submission id: KO001093
Outputs for Hippuric acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO001093
Synonyms: Hippurate, N-Benzoylglycine, Benzoylaminoacetic acid, Hippuric acid
Total mass: 179.1723
Formula: H9 C9 O3 N1
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: 46.1, 60.2, 61.0, 89.3, 104.1, 117.3, 120.1, 132.0, 134.4,
Processing time: 0:00:02.541485
Results for the quried mass "88.2"
Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
C7 |
0.094 |
4 |
0 |
C1,C2,C3,C4,C5,C7,C9 |
C6O1 |
0.136 |
0 |
0 |
C1,C2,C3,C5,C7,C9,O13 |
C6O1 |
0.136 |
0 |
0 |
C1,C2,C4,C5,C7,C9,O13 |
C6O1 |
0.136 |
0 |
0 |
C1,C2,C3,C4,C7,C9,O13 |
C6O1 |
0.136 |
0 |
0 |
C1,C3,C4,C5,C7,C9,O13 |
C6O1 |
0.136 |
0 |
0 |
C2,C3,C4,C5,C7,C9,O13 |
C6N1 |
0.113 |
2 |
0 |
C1,C2,C4,C6,C7,C9,N10 |
C6N1 |
0.113 |
2 |
0 |
C1,C3,C5,C6,C7,C9,N10 |
C6N1 |
0.113 |
2 |
0 |
C1,C2,C3,C5,C7,C9,N10 |
C6N1 |
0.113 |
2 |
0 |
C1,C2,C4,C5,C7,C9,N10 |
C6N1 |
0.113 |
2 |
0 |
C1,C2,C3,C4,C7,C9,N10 |
C6N1 |
0.113 |
2 |
0 |
C1,C3,C4,C5,C7,C9,N10 |
C6N1 |
0.113 |
2 |
0 |
C2,C4,C6,C7,C8,C9,N10 |
C6N1 |
0.113 |
2 |
0 |
C2,C3,C4,C5,C7,C9,N10 |
C6N1 |
0.113 |
2 |
0 |
C2,C4,C5,C6,C7,C9,N10 |
C6N1 |
0.113 |
2 |
0 |
C3,C5,C6,C7,C8,C9,N10 |
C6N1 |
0.113 |
2 |
0 |
C3,C4,C5,C6,C7,C9,N10 |
C6N1 |
0.113 |
2 |
0 |
C4,C5,C6,C7,C8,C9,N10 |
C5O1N1 |
0.156 |
2 |
0 |
C1,C2,C4,C7,C9,N10,O13 |
C5O1N1 |
0.156 |
2 |
0 |
C1,C3,C5,C7,C9,N10,O13 |
C5O1N1 |
0.156 |
2 |
0 |
C2,C4,C6,C7,C9,N10,O13 |
C5O1N1 |
0.156 |
2 |
0 |
C3,C5,C6,C7,C9,N10,O13 |
C5O1N1 |
0.156 |
2 |
0 |
C4,C6,C7,C8,C9,N10,O11 |
C5O1N1 |
0.156 |
2 |
0 |
C4,C6,C7,C8,C9,N10,O12 |
C5O1N1 |
0.156 |
2 |
0 |
C4,C6,C7,C8,C9,N10,O13 |
C5O1N1 |
0.156 |
2 |
0 |
C5,C6,C7,C8,C9,N10,O11 |
C5O1N1 |
0.156 |
2 |
0 |
C5,C6,C7,C8,C9,N10,O12 |
C5O1N1 |
0.156 |
2 |
0 |
C5,C6,C7,C8,C9,N10,O13 |
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