Processed databases
Atom-Mass pairs
Outputs for Gramine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO002978
Synonyms: Gramine
Total mass: 174.2417
Formula: H14 C11 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: 102.1, 102.9, 129.2, 130.0,
Processing time: 0:00:01.438566
Results for the quried mass "72.8"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C5N1 | 0.252 | 1 | 0 | C3,C4,C6,C7,C11,N12 |
| C5N1 | 0.252 | 1 | 0 | C3,C5,C7,C10,C11,N12 |
| C5N1 | 0.252 | 1 | 0 | C3,C5,C7,C9,C10,N12 |
| C5N1 | 0.252 | 1 | 0 | C3,C5,C8,C9,C10,N13 |
| C5N1 | 0.252 | 1 | 0 | C3,C4,C5,C10,C11,N12 |
| C5N1 | 0.252 | 1 | 0 | C3,C4,C6,C10,C11,N12 |
| C5N1 | 0.252 | 1 | 0 | C3,C4,C5,C6,C11,N12 |
| C5N1 | 0.252 | 1 | 0 | C3,C5,C6,C10,C11,N12 |
| C5N1 | 0.252 | 1 | 0 | C3,C5,C9,C10,C11,N12 |
| C5N1 | 0.252 | 1 | 0 | C4,C6,C7,C9,C11,N12 |
| C5N1 | 0.252 | 1 | 0 | C4,C5,C6,C10,C11,N12 |
| C5N1 | 0.252 | 1 | 0 | C4,C6,C7,C10,C11,N12 |
| C5N1 | 0.252 | 1 | 0 | C4,C6,C9,C10,C11,N12 |
| C5N1 | 0.252 | 1 | 0 | C5,C7,C9,C10,C11,N12 |
| C5N1 | 0.252 | 1 | 0 | C5,C6,C7,C10,C11,N12 |
| C5N1 | 0.252 | 1 | 0 | C5,C7,C8,C9,C10,N13 |
| C5N1 | 0.252 | 1 | 0 | C5,C7,C8,C9,C10,N12 |
| C5N1 | 0.252 | 1 | 0 | C5,C8,C9,C10,C11,N12 |
| C5N1 | 0.252 | 1 | 0 | C5,C8,C9,C10,C11,N13 |
| C5N1 | 0.252 | 1 | 0 | C6,C7,C8,C9,C11,N12 |
| C5N1 | 0.252 | 1 | 0 | C6,C7,C9,C10,C11,N12 |
| C5N1 | 0.252 | 1 | 0 | C6,C8,C9,C10,C11,N13 |
| C5N1 | 0.252 | 1 | 0 | C6,C8,C9,C10,C11,N12 |
| C5N1 | 0.252 | 1 | 0 | C7,C8,C9,C10,C11,N12 |
| C5N1 | 0.252 | 1 | 0 | C7,C8,C9,C10,C11,N13 |
| C6 | 0.272 | 1 | 0 | C3,C4,C5,C6,C10,C11 |
| C6 | 0.272 | 1 | 0 | C3,C4,C6,C9,C10,C11 |
| C6 | 0.272 | 1 | 0 | C3,C4,C5,C7,C9,C10 |
| C6 | 0.272 | 1 | 0 | C3,C4,C5,C8,C9,C10 |
| C6 | 0.272 | 1 | 0 | C3,C4,C5,C6,C9,C10 |
| C6 | 0.272 | 1 | 0 | C3,C5,C6,C9,C10,C11 |
| C6 | 0.272 | 1 | 0 | C3,C5,C7,C8,C9,C10 |
| C6 | 0.272 | 1 | 0 | C3,C5,C7,C9,C10,C11 |
| C6 | 0.272 | 1 | 0 | C3,C5,C8,C9,C10,C11 |
| C6 | 0.272 | 1 | 0 | C4,C6,C7,C9,C10,C11 |
| C6 | 0.272 | 1 | 0 | C4,C6,C8,C9,C10,C11 |
| C6 | 0.272 | 1 | 0 | C3,C4,C5,C9,C10,C11 |
| C6 | 0.272 | 1 | 0 | C4,C5,C6,C9,C10,C11 |
| C6 | 0.272 | 1 | 0 | C5,C6,C7,C9,C10,C11 |
| C6 | 0.272 | 1 | 0 | C5,C6,C8,C9,C10,C11 |
| C6 | 0.272 | 1 | 0 | C6,C7,C8,C9,C10,C11 |