Processed databases
Atom-Mass pairs
Outputs for 3-Indoleacetonitrile; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO003202
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: 81.1, 107.4, 140.2,
Processing time: 0:00:01.894680
Results for the quried mass "63.1"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C5 | 0.023 | 3 | 0 | C1,C3,C4,C9,C10 |
| C5 | 0.023 | 3 | 0 | C1,C3,C5,C8,C9 |
| C5 | 0.023 | 3 | 0 | C1,C3,C7,C8,C9 |
| C5 | 0.023 | 3 | 0 | C1,C2,C4,C9,C10 |
| C5 | 0.023 | 3 | 0 | C1,C2,C3,C8,C9 |
| C5 | 0.023 | 3 | 0 | C1,C2,C3,C9,C10 |
| C5 | 0.023 | 3 | 0 | C1,C2,C3,C4,C9 |
| C5 | 0.023 | 3 | 0 | C1,C2,C3,C4,C10 |
| C5 | 0.023 | 3 | 1 | C1,C3,C8,C9,C10 |
| C5 | 0.023 | 3 | 0 | C2,C3,C4,C9,C10 |
| C5 | 0.023 | 3 | 1 | C2,C4,C8,C9,C10 |
| C5 | 0.023 | 3 | 0 | C3,C5,C6,C8,C9 |
| C5 | 0.023 | 3 | 1 | C3,C4,C8,C9,C10 |
| C5 | 0.023 | 3 | 0 | C3,C5,C7,C8,C9 |
| C5 | 0.023 | 3 | 0 | C3,C5,C8,C9,C10 |
| C5 | 0.023 | 3 | 1 | C3,C7,C8,C9,C10 |
| C5 | 0.023 | 3 | 0 | C4,C5,C8,C9,C10 |
| C5 | 0.023 | 3 | 1 | C4,C7,C8,C9,C10 |
| C5 | 0.023 | 3 | 1 | C5,C6,C8,C9,C10 |
| C5 | 0.023 | 3 | 0 | C5,C7,C8,C9,C10 |
| C5 | 0.023 | 3 | 0 | C5,C6,C7,C8,C9 |
| C4N1 | 0.043 | 1 | 0 | C7,C8,C9,C10,N12 |
| C4N1 | 0.043 | 1 | 0 | C5,C6,C7,C8,N11 |
| C4N1 | 0.043 | 1 | 0 | C5,C6,C8,C9,N11 |
| C4N1 | 0.043 | 1 | 0 | C1,C2,C4,C10,N12 |
| C4N1 | 0.043 | 1 | 0 | C1,C3,C9,C10,N12 |
| C4N1 | 0.043 | 1 | 0 | C2,C4,C7,C10,N12 |
| C4N1 | 0.043 | 1 | 0 | C2,C4,C9,C10,N12 |
| C4N1 | 0.043 | 1 | 0 | C3,C7,C9,C10,N12 |
| C4N1 | 0.043 | 1 | 0 | C3,C7,C8,C9,N12 |
| C4N1 | 0.043 | 1 | 0 | C3,C4,C9,C10,N12 |
| C4N1 | 0.043 | 1 | 0 | C3,C8,C9,C10,N12 |
| C4N1 | 0.043 | 1 | 0 | C4,C7,C8,C10,N12 |
| C4N1 | 0.043 | 1 | 0 | C4,C7,C9,C10,N12 |
| C4N1 | 0.043 | 1 | 0 | C4,C8,C9,C10,N12 |
| C4N1 | 0.043 | 1 | 0 | C5,C7,C8,C10,N12 |
| C4N1 | 0.043 | 1 | 0 | C5,C8,C9,C10,N12 |
| C4N1 | 0.043 | 1 | 0 | C5,C6,C7,C8,N12 |
| C4N1 | 0.043 | 1 | 0 | C5,C7,C8,C9,N12 |