Processed databases
Atom-Mass pairs
Outputs for Gramine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO002975
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: 64.8, 72.1, 75.6, 84.1, 84.3, 93.8, 97.2, 116.3, 130.1, 158.1,
Processing time: 0:00:02.603924
Results for the quried mass "88.3"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C5N2 | 0.233 | 0 | 0 | C1,C2,C7,C8,C9,N12,N13 |
| C6N1 | 0.213 | 2 | 0 | C1,C2,C5,C8,C9,C10,N13 |
| C6N1 | 0.213 | 2 | 0 | C1,C2,C7,C8,C9,C10,N13 |
| C6N1 | 0.213 | 2 | 0 | C3,C4,C5,C6,C10,C11,N12 |
| C6N1 | 0.213 | 2 | 0 | C3,C4,C5,C6,C7,C11,N12 |
| C7 | 0.193 | 4 | 0 | C3,C4,C6,C7,C9,C10,C11 |
| C7 | 0.193 | 4 | 0 | C3,C4,C6,C8,C9,C10,C11 |
| C7 | 0.193 | 4 | 0 | C3,C4,C5,C6,C9,C10,C11 |
| C7 | 0.193 | 4 | 0 | C3,C4,C5,C6,C7,C9,C10 |
| C7 | 0.193 | 4 | 0 | C3,C4,C5,C6,C8,C9,C10 |
| C7 | 0.193 | 4 | 0 | C3,C5,C6,C7,C9,C10,C11 |
| C7 | 0.193 | 4 | 0 | C3,C5,C6,C8,C9,C10,C11 |
| C7 | 0.193 | 4 | 0 | C3,C4,C5,C7,C9,C10,C11 |
| C7 | 0.193 | 4 | 0 | C3,C4,C5,C8,C9,C10,C11 |
| C7 | 0.193 | 4 | 0 | C3,C4,C5,C7,C8,C9,C10 |
| C7 | 0.193 | 4 | 0 | C4,C5,C6,C7,C9,C10,C11 |
| C7 | 0.193 | 4 | 0 | C4,C5,C6,C8,C9,C10,C11 |
| C7 | 0.193 | 4 | 0 | C4,C6,C7,C8,C9,C10,C11 |
| C7 | 0.193 | 4 | 0 | C5,C6,C7,C8,C9,C10,C11 |