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: KO001218
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: NEGATIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks:
Replicated queried mass peaks: 72.7, 129.0, 130.2, 158.0,
Processing time: 0:00:01.526951
Results for the quried mass "142.0"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C9O2 | 0.111 | 2 | 0 | C1,C3,C4,C5,C7,C8,C9,C10,C12,O14,O15 |
| C9O2 | 0.111 | 2 | 0 | C1,C2,C3,C4,C5,C7,C9,C10,C12,O14,O15 |
| C8O2N1 | 0.091 | 0 | 0 | C3,C4,C5,C7,C8,C9,C10,C12,N13,O14,O15 |
| C8O2N1 | 0.091 | 0 | 0 | C3,C4,C6,C7,C8,C9,C11,C12,N13,O14,O15 |
| C8O2N1 | 0.091 | 0 | 0 | C3,C4,C7,C8,C9,C10,C11,C12,N13,O14,O15 |
| C10N1 | 0.177 | 8 | 0 | C1,C2,C3,C4,C5,C6,C8,C9,C10,C11,N13 |