Processed databases
Atom-Mass pairs
Outputs for Phthalic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]-
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO001694
Synonyms: Phthalate, 1,2-Benzenedicarboxylic acid, Phthalic acid
Total mass: 166.1306
Formula: H6 C8 O4
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: 59.5, 122.1,
Processing time: 0:00:01.992791
Results for the quried mass "149.3"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C8O3 | 0.177 | 5 | 0 | C1,C2,C3,C4,C5,C6,C7,C8,O10,O11,O12 |
| C8O3 | 0.177 | 5 | 0 | C1,C2,C3,C4,C5,C6,C7,C8,O9,O11,O12 |
| C8O3 | 0.177 | 5 | 0 | C1,C2,C3,C4,C5,C6,C7,C8,O9,O10,O12 |
| C8O3 | 0.177 | 5 | 0 | C1,C2,C3,C4,C5,C6,C7,C8,O9,O10,O11 |
| C7O4 | 0.220 | 1 | 0 | C2,C3,C4,C5,C6,C7,C8,O9,O10,O11,O12 |
| C7O4 | 0.220 | 1 | 0 | C1,C3,C4,C5,C6,C7,C8,O9,O10,O11,O12 |
| C7O4 | 0.220 | 1 | 0 | C1,C2,C4,C5,C6,C7,C8,O9,O10,O11,O12 |
| C7O4 | 0.220 | 1 | 0 | C1,C2,C3,C5,C6,C7,C8,O9,O10,O11,O12 |