Processed databases
Atom-Mass pairs
Outputs for Indole-3-pyruvic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]-
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO001169
Synonyms: Indole-3-pyruvate, Indolepyruvic acid, Indole-3-pyruvate, (Indol-3-yl)pyruvate, Indolepyruvate, 3-(Indol-3-yl)pyruvate, Indole-3-pyruvic acid
Total mass: 203.1937
Formula: H9 C11 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: 2.0158Out of range queried mass peaks:
Replicated queried mass peaks: 115.1, 143.7,
Processing time: 0:00:01.167488
Results for the quried mass "78.7"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C4O1N1 | 0.357 | 1 | 0 | C5,C6,C7,C10,N12,O13 |
| C5N1 | 0.400 | 5 | 1 | C5,C6,C7,C8,C10,N12 |
| C5N1 | 0.400 | 5 | 2 | C5,C7,C8,C9,C10,N12 |
| C5N1 | 0.400 | 5 | 1 | C5,C6,C7,C9,C10,N12 |
| C5N1 | 0.400 | 5 | 1 | C5,C6,C7,C10,C11,N12 |
| C5N1 | 0.400 | 5 | 0 | C1,C2,C4,C6,C9,N12 |
| C5N1 | 0.400 | 5 | 1 | C1,C3,C6,C8,C9,N12 |
| C5N1 | 0.400 | 5 | 1 | C1,C3,C6,C7,C8,N12 |
| C5N1 | 0.400 | 5 | 1 | C1,C2,C3,C8,C9,N12 |
| C5N1 | 0.400 | 5 | 1 | C1,C2,C4,C8,C9,N12 |
| C5N1 | 0.400 | 5 | 0 | C1,C2,C3,C4,C9,N12 |
| C5N1 | 0.400 | 5 | 1 | C1,C3,C4,C8,C9,N12 |
| C5N1 | 0.400 | 5 | 2 | C1,C3,C7,C8,C9,N12 |
| C5N1 | 0.400 | 5 | 1 | C2,C4,C6,C7,C9,N12 |
| C5N1 | 0.400 | 5 | 1 | C2,C3,C4,C8,C9,N12 |
| C5N1 | 0.400 | 5 | 1 | C2,C4,C6,C8,C9,N12 |
| C5N1 | 0.400 | 5 | 2 | C2,C4,C7,C8,C9,N12 |
| C5N1 | 0.400 | 5 | 2 | C3,C6,C7,C8,C9,N12 |
| C5N1 | 0.400 | 5 | 1 | C3,C4,C6,C8,C9,N12 |
| C5N1 | 0.400 | 5 | 0 | C3,C5,C6,C7,C8,N12 |
| C5N1 | 0.400 | 5 | 1 | C3,C5,C7,C8,C9,N12 |
| C5N1 | 0.400 | 5 | 0 | C4,C5,C6,C7,C9,N12 |
| C5N1 | 0.400 | 5 | 2 | C4,C6,C7,C8,C9,N12 |
| C5N1 | 0.400 | 5 | 1 | C4,C5,C7,C8,C9,N12 |
| C5N1 | 0.400 | 5 | 1 | C5,C6,C7,C8,C9,N12 |
| C5O1 | 0.377 | 3 | 0 | C5,C7,C8,C10,C11,O14 |
| C5O1 | 0.377 | 3 | 1 | C5,C7,C8,C10,C11,O15 |
| C5O1 | 0.377 | 3 | 1 | C5,C7,C8,C10,C11,O13 |
| C5O1 | 0.377 | 3 | 1 | C5,C7,C8,C9,C10,O13 |
| C5O1 | 0.377 | 3 | 0 | C3,C5,C7,C8,C10,O13 |
| C5O1 | 0.377 | 3 | 0 | C5,C6,C7,C10,C11,O14 |
| C5O1 | 0.377 | 3 | 0 | C5,C6,C7,C10,C11,O15 |
| C5O1 | 0.377 | 3 | 0 | C5,C6,C7,C8,C10,O13 |
| C5O1 | 0.377 | 3 | 0 | C5,C6,C7,C10,C11,O13 |
| C6 | 0.419 | 7 | 2 | C1,C2,C3,C5,C7,C8 |
| C6 | 0.419 | 7 | 2 | C1,C3,C5,C6,C7,C8 |
| C4O2 | 0.334 | 1 | 0 | C5,C7,C10,C11,O13,O14 |
| C4O2 | 0.334 | 1 | 0 | C5,C7,C10,C11,O13,O15 |
| C4O2 | 0.334 | 1 | 0 | C5,C7,C10,C11,O14,O15 |