Processed databases
Atom-Mass pairs
Outputs for 3-Indolebutyric acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO003208
Synonyms: 3-Indolebutyrate, Indolebutyric acid, 3-Indolebutyric acid
Total mass: 203.2366
Formula: H13 C12 O2 N1
Experimental information
MS type: MS2
Instrument: API3000, Applied Biosystems
Instrument type: LC-ESI-QQ
Ionization mode: POSITIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks:
Replicated queried mass peaks: 71.3, 84.8, 95.9, 98.9, 109.1, 112.9, 127.1, 140.9, 145.2, 169.3, 187.0, 187.6,
Processing time: 0:00:03.024442
Results for the quried mass "74.7"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C5N1 | 0.368 | 1 | 0 | C1,C2,C6,C8,C11,N13 |
| C5N1 | 0.368 | 1 | 0 | C1,C5,C8,C10,C11,N13 |
| C5N1 | 0.368 | 1 | 0 | C1,C5,C8,C9,C10,N13 |
| C5N1 | 0.368 | 1 | 0 | C1,C2,C5,C10,C11,N13 |
| C5N1 | 0.368 | 1 | 0 | C1,C2,C6,C10,C11,N13 |
| C5N1 | 0.368 | 1 | 0 | C1,C2,C5,C6,C11,N13 |
| C5N1 | 0.368 | 1 | 0 | C1,C5,C6,C10,C11,N13 |
| C5N1 | 0.368 | 1 | 0 | C1,C5,C9,C10,C11,N13 |
| C5N1 | 0.368 | 1 | 0 | C2,C6,C8,C9,C11,N13 |
| C5N1 | 0.368 | 1 | 0 | C2,C5,C6,C10,C11,N13 |
| C5N1 | 0.368 | 1 | 0 | C2,C6,C8,C10,C11,N13 |
| C5N1 | 0.368 | 1 | 0 | C2,C6,C9,C10,C11,N13 |
| C5N1 | 0.368 | 1 | 0 | C3,C4,C8,C9,C11,N13 |
| C5N1 | 0.368 | 1 | 0 | C3,C4,C9,C10,C11,N13 |
| C5N1 | 0.368 | 1 | 0 | C3,C4,C8,C9,C10,N13 |
| C5N1 | 0.368 | 1 | 0 | C3,C4,C7,C8,C9,N13 |
| C5N1 | 0.368 | 1 | 0 | C4,C6,C8,C9,C11,N13 |
| C5N1 | 0.368 | 1 | 0 | C4,C8,C9,C10,C11,N13 |
| C5N1 | 0.368 | 1 | 0 | C4,C5,C8,C9,C10,N13 |
| C5N1 | 0.368 | 1 | 0 | C4,C5,C9,C10,C11,N13 |
| C5N1 | 0.368 | 1 | 0 | C4,C6,C9,C10,C11,N13 |
| C5N1 | 0.368 | 1 | 0 | C5,C8,C9,C10,C11,N13 |
| C5N1 | 0.368 | 1 | 0 | C5,C6,C8,C10,C11,N13 |
| C5N1 | 0.368 | 1 | 0 | C5,C6,C9,C10,C11,N13 |
| C5N1 | 0.368 | 1 | 0 | C6,C8,C9,C10,C11,N13 |
| C5O1 | 0.345 | 1 | 0 | C3,C4,C7,C9,C12,O14 |
| C5O1 | 0.345 | 1 | 0 | C3,C4,C7,C9,C12,O15 |
| C6 | 0.388 | 3 | 0 | C1,C2,C5,C6,C10,C11 |
| C6 | 0.388 | 3 | 0 | C1,C3,C4,C5,C9,C10 |
| C6 | 0.388 | 3 | 0 | C1,C2,C6,C9,C10,C11 |
| C6 | 0.388 | 3 | 0 | C1,C2,C4,C5,C9,C10 |
| C6 | 0.388 | 3 | 0 | C1,C2,C5,C8,C9,C10 |
| C6 | 0.388 | 3 | 0 | C1,C2,C5,C6,C9,C10 |
| C6 | 0.388 | 3 | 0 | C1,C4,C5,C8,C9,C10 |
| C6 | 0.388 | 3 | 0 | C1,C4,C5,C9,C10,C11 |
| C6 | 0.388 | 3 | 0 | C1,C5,C6,C9,C10,C11 |
| C6 | 0.388 | 3 | 0 | C1,C5,C8,C9,C10,C11 |
| C6 | 0.388 | 3 | 0 | C1,C2,C5,C9,C10,C11 |
| C6 | 0.388 | 3 | 0 | C2,C4,C6,C9,C10,C11 |
| C6 | 0.388 | 3 | 0 | C2,C6,C8,C9,C10,C11 |
| C6 | 0.388 | 3 | 0 | C2,C5,C6,C9,C10,C11 |
| C6 | 0.388 | 3 | 0 | C3,C4,C6,C9,C10,C11 |
| C6 | 0.388 | 3 | 0 | C3,C4,C5,C8,C9,C10 |
| C6 | 0.388 | 3 | 0 | C3,C4,C5,C9,C10,C11 |
| C6 | 0.388 | 3 | 0 | C3,C4,C5,C7,C9,C10 |
| C6 | 0.388 | 3 | 0 | C3,C4,C8,C9,C10,C11 |
| C6 | 0.388 | 3 | 0 | C3,C4,C7,C8,C9,C12 |
| C6 | 0.388 | 3 | 0 | C3,C4,C7,C9,C10,C12 |
| C6 | 0.388 | 3 | 0 | C3,C4,C7,C9,C10,C11 |
| C6 | 0.388 | 3 | 0 | C3,C4,C7,C8,C9,C10 |
| C6 | 0.388 | 3 | 0 | C4,C5,C6,C9,C10,C11 |
| C6 | 0.388 | 3 | 0 | C4,C6,C8,C9,C10,C11 |
| C6 | 0.388 | 3 | 0 | C4,C5,C8,C9,C10,C11 |
| C6 | 0.388 | 3 | 0 | C5,C6,C8,C9,C10,C11 |
| C3O2 | 0.386 | 7 | 2 | C3,C7,C12,O14,O15 |