Processed databases
Atom-Mass pairs
Outputs for 3-Indolebutyric acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO003210
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: 67.8, 69.8, 80.1, 110.5,
Processing time: 0:00:02.484851
Results for the quried mass "129.8"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C8O2 | 0.300 | 2 | 0 | C3,C4,C5,C7,C8,C9,C10,C12,O14,O15 |
| C8O2 | 0.300 | 2 | 0 | C1,C3,C4,C5,C7,C9,C10,C12,O14,O15 |
| C7O2N1 | 0.280 | 0 | 0 | C3,C4,C7,C8,C9,C11,C12,N13,O14,O15 |
| C7O2N1 | 0.280 | 0 | 0 | C3,C4,C7,C8,C9,C10,C12,N13,O14,O15 |
| C9N1 | 0.366 | 8 | 0 | C1,C2,C4,C5,C6,C8,C9,C10,C11,N13 |