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Atom-Mass pairs
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Submission id: JP003528
Outputs for HIPPURIC ACID; EI-B; MS
Database: UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH, Tokyo
Entry ID: JP003528
Synonyms: HIPPURIC ACID
Total mass: 179.1723
Formula: H9 C9 O3 N1
Experimental information
MS type: MS
Instrument: HITACHI RMU-6E
Instrument type: EI-B
Ionization: 70 eV
Ionization mode: POSITIVE
CAMP general report:
Acceptable mass threshold: 2.0158
Out of range queried mass peaks:
Replicated queried mass peaks: 52.0, 75.0, 76.0, 78.0, 106.0, 135.0, 136.0,
Processing time: 0:00:02.152588
Results for the quried mass "77.0"
Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
C4O1N1 |
0.041 |
1 |
0 |
C2,C4,C7,C9,N10,O13 |
C4O1N1 |
0.041 |
1 |
0 |
C3,C5,C7,C9,N10,O13 |
C4O1N1 |
0.041 |
1 |
0 |
C4,C6,C7,C9,N10,O13 |
C4O1N1 |
0.041 |
1 |
0 |
C5,C6,C7,C9,N10,O13 |
C4O1N1 |
0.041 |
1 |
0 |
C6,C7,C8,C9,N10,O11 |
C4O1N1 |
0.041 |
1 |
0 |
C6,C7,C8,C9,N10,O12 |
C4O1N1 |
0.041 |
1 |
0 |
C6,C7,C8,C9,N10,O13 |
C5N1 |
0.084 |
3 |
0 |
C1,C2,C4,C7,C9,N10 |
C5N1 |
0.084 |
3 |
0 |
C1,C3,C5,C7,C9,N10 |
C5N1 |
0.084 |
3 |
0 |
C2,C4,C6,C7,C9,N10 |
C5N1 |
0.084 |
3 |
0 |
C2,C4,C5,C7,C9,N10 |
C5N1 |
0.084 |
3 |
0 |
C3,C5,C6,C7,C9,N10 |
C5N1 |
0.084 |
3 |
0 |
C3,C4,C5,C7,C9,N10 |
C5N1 |
0.084 |
3 |
0 |
C4,C6,C7,C8,C9,N10 |
C5N1 |
0.084 |
3 |
0 |
C4,C5,C6,C7,C9,N10 |
C5N1 |
0.084 |
3 |
0 |
C5,C6,C7,C8,C9,N10 |
C5O1 |
0.061 |
1 |
0 |
C1,C2,C4,C7,C9,O13 |
C5O1 |
0.061 |
1 |
0 |
C1,C3,C5,C7,C9,O13 |
C5O1 |
0.061 |
1 |
0 |
C2,C4,C5,C7,C9,O13 |
C5O1 |
0.061 |
1 |
0 |
C3,C4,C5,C7,C9,O13 |
C6 |
0.104 |
5 |
0 |
C1,C2,C3,C4,C5,C7 |
C6 |
0.104 |
5 |
1 |
C1,C2,C3,C5,C7,C9 |
C6 |
0.104 |
5 |
1 |
C1,C2,C4,C5,C7,C9 |
C6 |
0.104 |
5 |
1 |
C1,C2,C3,C4,C7,C9 |
C6 |
0.104 |
5 |
1 |
C1,C3,C4,C5,C7,C9 |
C6 |
0.104 |
5 |
1 |
C2,C3,C4,C5,C7,C9 |
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