Processed databases
Atom-Mass pairs
Outputs for 3-Indolebutyric acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO003209
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: 58.8, 67.4, 80.9, 84.3, 96.0, 97.7, 110.3, 111.2, 115.4, 122.7, 123.4, 126.2,
Processing time: 0:00:03.027404
Results for the quried mass "85.1"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C6N1 | 0.037 | 1 | 0 | C1,C2,C6,C8,C9,C11,N13 |
| C6N1 | 0.037 | 1 | 0 | C1,C5,C8,C9,C10,C11,N13 |
| C6N1 | 0.037 | 1 | 0 | C1,C2,C5,C8,C9,C10,N13 |
| C6N1 | 0.037 | 1 | 0 | C1,C2,C5,C8,C10,C11,N13 |
| C6N1 | 0.037 | 1 | 0 | C1,C2,C5,C6,C10,C11,N13 |
| C6N1 | 0.037 | 1 | 0 | C1,C2,C6,C8,C10,C11,N13 |
| C6N1 | 0.037 | 1 | 0 | C1,C2,C5,C6,C8,C11,N13 |
| C6N1 | 0.037 | 1 | 0 | C1,C2,C6,C9,C10,C11,N13 |
| C6N1 | 0.037 | 1 | 0 | C1,C4,C5,C8,C9,C10,N13 |
| C6N1 | 0.037 | 1 | 0 | C1,C4,C5,C9,C10,C11,N13 |
| C6N1 | 0.037 | 1 | 0 | C1,C5,C6,C8,C10,C11,N13 |
| C6N1 | 0.037 | 1 | 0 | C1,C2,C5,C9,C10,C11,N13 |
| C6N1 | 0.037 | 1 | 0 | C2,C4,C6,C8,C9,C11,N13 |
| C6N1 | 0.037 | 1 | 0 | C2,C6,C8,C9,C10,C11,N13 |
| C6N1 | 0.037 | 1 | 0 | C2,C4,C6,C9,C10,C11,N13 |
| C6N1 | 0.037 | 1 | 0 | C2,C5,C6,C8,C10,C11,N13 |
| C6N1 | 0.037 | 1 | 0 | C3,C4,C6,C8,C9,C11,N13 |
| C6N1 | 0.037 | 1 | 0 | C3,C4,C8,C9,C10,C11,N13 |
| C6N1 | 0.037 | 1 | 0 | C3,C4,C5,C8,C9,C10,N13 |
| C6N1 | 0.037 | 1 | 0 | C3,C4,C5,C9,C10,C11,N13 |
| C6N1 | 0.037 | 1 | 0 | C3,C4,C6,C9,C10,C11,N13 |
| C6N1 | 0.037 | 1 | 0 | C3,C4,C7,C8,C9,C11,N13 |
| C6N1 | 0.037 | 1 | 0 | C3,C4,C7,C8,C9,C12,N13 |
| C6N1 | 0.037 | 1 | 0 | C3,C4,C7,C9,C10,C11,N13 |
| C6N1 | 0.037 | 1 | 0 | C3,C4,C7,C8,C9,C10,N13 |
| C6N1 | 0.037 | 1 | 0 | C4,C5,C8,C9,C10,C11,N13 |
| C6N1 | 0.037 | 1 | 0 | C4,C6,C8,C9,C10,C11,N13 |
| C6N1 | 0.037 | 1 | 0 | C5,C6,C8,C9,C10,C11,N13 |
| C5O1 | 0.024 | 9 | 2 | C3,C4,C7,C9,C12,O15 |
| C7 | 0.017 | 1 | 0 | C1,C2,C4,C6,C9,C10,C11 |
| C7 | 0.017 | 1 | 0 | C1,C3,C4,C5,C7,C9,C10 |
| C7 | 0.017 | 1 | 0 | C1,C2,C6,C8,C9,C10,C11 |
| C7 | 0.017 | 1 | 0 | C1,C2,C3,C4,C5,C9,C10 |
| C7 | 0.017 | 1 | 0 | C1,C2,C5,C6,C9,C10,C11 |
| C7 | 0.017 | 1 | 0 | C1,C2,C4,C5,C6,C9,C10 |
| C7 | 0.017 | 1 | 0 | C1,C2,C5,C6,C8,C9,C10 |
| C7 | 0.017 | 1 | 0 | C1,C3,C4,C5,C8,C9,C10 |
| C7 | 0.017 | 1 | 0 | C1,C3,C4,C5,C9,C10,C11 |
| C7 | 0.017 | 1 | 0 | C1,C4,C5,C6,C9,C10,C11 |
| C7 | 0.017 | 1 | 0 | C1,C5,C6,C8,C9,C10,C11 |
| C7 | 0.017 | 1 | 0 | C1,C2,C4,C5,C9,C10,C11 |
| C7 | 0.017 | 1 | 0 | C1,C2,C5,C8,C9,C10,C11 |
| C7 | 0.017 | 1 | 0 | C2,C3,C4,C6,C9,C10,C11 |
| C7 | 0.017 | 1 | 0 | C1,C2,C4,C5,C8,C9,C10 |
| C7 | 0.017 | 1 | 0 | C2,C4,C5,C6,C9,C10,C11 |
| C7 | 0.017 | 1 | 0 | C2,C4,C6,C8,C9,C10,C11 |
| C7 | 0.017 | 1 | 0 | C2,C5,C6,C8,C9,C10,C11 |
| C7 | 0.017 | 1 | 0 | C3,C4,C5,C6,C9,C10,C11 |
| C7 | 0.017 | 1 | 0 | C3,C4,C5,C7,C9,C10,C12 |
| C7 | 0.017 | 1 | 0 | C3,C4,C6,C8,C9,C10,C11 |
| C7 | 0.017 | 1 | 0 | C3,C4,C6,C7,C9,C10,C11 |
| C7 | 0.017 | 1 | 0 | C3,C4,C7,C9,C10,C11,C12 |
| C7 | 0.017 | 1 | 0 | C3,C4,C5,C7,C8,C9,C10 |
| C7 | 0.017 | 1 | 0 | C3,C4,C7,C8,C9,C10,C11 |
| C7 | 0.017 | 1 | 0 | C3,C4,C7,C8,C9,C10,C12 |
| C7 | 0.017 | 1 | 0 | C4,C5,C6,C8,C9,C10,C11 |
| C7 | 0.017 | 1 | 0 | C3,C4,C5,C7,C9,C10,C11 |
| C4O2 | 0.019 | 5 | 0 | C3,C4,C7,C12,O14,O15 |