Processed databases
Atom-Mass pairs
Outputs for 3-Indoleacetonitrile; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO003203
Synonyms: 3-Indoleacetonitrile, Indol-3-ylacetonitrile, (Indole-3-yl)acetonitrile, Indole-3-acetonitrile
Total mass: 156.1836
Formula: H8 C10 N2
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: 69.3,
Processing time: 0:00:01.526836
Results for the quried mass "111.8"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C7N2 | 0.288 | 0 | 0 | C3,C5,C6,C7,C8,C9,C10,N11,N12 |
| C7N2 | 0.288 | 0 | 0 | C2,C4,C5,C6,C7,C8,C10,N11,N12 |
| C7N2 | 0.288 | 0 | 0 | C4,C5,C6,C7,C8,C9,C10,N11,N12 |
| C7N2 | 0.288 | 0 | 0 | C1,C3,C5,C6,C7,C8,C9,N11,N12 |
| C8N1 | 0.308 | 2 | 0 | C1,C2,C3,C5,C6,C7,C8,C9,N11 |
| C8N1 | 0.308 | 2 | 0 | C1,C2,C3,C4,C7,C8,C9,C10,N12 |
| C8N1 | 0.308 | 2 | 0 | C1,C2,C3,C4,C5,C6,C8,C9,N11 |