Processed databases
Atom-Mass pairs
Outputs for Tropic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]-
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO001947
Synonyms: Tropate, Tropic acid, alpha-(Hydroxymethyl)phenylacetic acid
Total mass: 166.1735
Formula: H10 C9 O3
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:
Processing time: 0:00:01.146779
Results for the quried mass "78.7"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C5O1 | 0.377 | 3 | 0 | C5,C6,C7,C8,C9,O11 |
| C5O1 | 0.377 | 3 | 0 | C5,C6,C7,C8,C9,O12 |
| C5O1 | 0.377 | 3 | 0 | C5,C6,C7,C8,C9,O10 |
| C5O1 | 0.377 | 3 | 0 | C2,C4,C6,C7,C8,O10 |
| C5O1 | 0.377 | 3 | 0 | C2,C4,C7,C8,C9,O11 |
| C5O1 | 0.377 | 3 | 0 | C2,C4,C7,C8,C9,O12 |
| C5O1 | 0.377 | 3 | 0 | C3,C5,C6,C7,C8,O10 |
| C5O1 | 0.377 | 3 | 0 | C3,C5,C7,C8,C9,O11 |
| C5O1 | 0.377 | 3 | 0 | C3,C5,C7,C8,C9,O12 |
| C5O1 | 0.377 | 3 | 0 | C4,C5,C6,C7,C8,O10 |
| C5O1 | 0.377 | 3 | 0 | C4,C5,C7,C8,C9,O11 |
| C5O1 | 0.377 | 3 | 0 | C4,C5,C7,C8,C9,O12 |
| C5O1 | 0.377 | 3 | 0 | C4,C6,C7,C8,C9,O11 |
| C5O1 | 0.377 | 3 | 0 | C4,C6,C7,C8,C9,O12 |
| C5O1 | 0.377 | 3 | 0 | C4,C6,C7,C8,C9,O10 |
| C6 | 0.419 | 7 | 2 | C1,C2,C3,C4,C5,C7 |
| C4O2 | 0.334 | 1 | 0 | C5,C7,C8,C9,O11,O12 |
| C4O2 | 0.334 | 1 | 0 | C6,C7,C8,C9,O10,O11 |
| C4O2 | 0.334 | 1 | 0 | C6,C7,C8,C9,O10,O12 |
| C4O2 | 0.334 | 1 | 0 | C4,C7,C8,C9,O11,O12 |