Processed databases
Atom-Mass pairs
Outputs for 3-(4-Hydroxyphenyl)propionic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]-
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO001100
Synonyms: 3-(4-Hydroxyphenyl)propionate, Phloretic acid, Phloretate, 3-(4-Hydroxyphenyl)propionic 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: 0:00:00.746726
Results for the quried mass "59.6"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C2O2 | 0.452 | 4 | 1 | C6,C9,O11,O12 |
| C5 | 0.453 | 0 | 0 | C2,C3,C5,C6,C7 |
| C5 | 0.453 | 0 | 0 | C1,C4,C5,C7,C8 |
| C5 | 0.453 | 0 | 0 | C1,C2,C4,C5,C8 |
| C5 | 0.453 | 0 | 0 | C1,C2,C5,C7,C8 |
| C5 | 0.453 | 0 | 0 | C1,C3,C6,C7,C9 |
| C5 | 0.453 | 0 | 0 | C1,C2,C3,C5,C7 |
| C5 | 0.453 | 0 | 0 | C1,C2,C4,C5,C7 |
| C5 | 0.453 | 0 | 0 | C1,C2,C3,C6,C7 |
| C5 | 0.453 | 0 | 0 | C1,C2,C4,C7,C8 |
| C5 | 0.453 | 0 | 0 | C1,C3,C4,C6,C7 |
| C5 | 0.453 | 0 | 0 | C1,C3,C4,C7,C8 |
| C5 | 0.453 | 0 | 0 | C1,C2,C3,C4,C7 |
| C5 | 0.453 | 0 | 0 | C2,C3,C6,C7,C9 |
| C5 | 0.453 | 0 | 0 | C2,C3,C5,C7,C8 |
| C5 | 0.453 | 0 | 0 | C2,C4,C5,C7,C8 |