Processed databases
Atom-Mass pairs
Outputs for DL-Mandelic acid; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
Database: Plant Science Center, RIKEN
Entry ID: PR100874
Synonyms: DL-Mandelic acid, DL-mandelate, DL-alpha-Hydroxyphenylacetic acid, DL-alpha-Hydroxybenzeneacetic acid, DL-alpha-Oxybenzeneacetic acid, Phenylglycollic acid, alpha-Hydroxy-alpha-toluic acid, Almond acid, Amygdalinic acid, Paramandelic acid, Uromaline
Total mass: 152.147
Formula: H8 C8 O3
Experimental information
MS type: MS2
Instrument: UPLC Q-Tof Premier, Waters
Instrument type: LC-ESI-QTOF
Ionization: ESI
Ionization mode: NEGATIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks:
Replicated queried mass peaks:
Processing time: 0:00:00.791315
Results for the quried mass "107.0502"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C7O1 | 0.079 | 7 | 0 | C1,C2,C3,C4,C5,C6,C7,O9 |
| C5O3 | 0.006 | 1 | 0 | C3,C5,C6,C7,C8,O9,O10,O11 |
| C5O3 | 0.006 | 1 | 0 | C2,C4,C6,C7,C8,O9,O10,O11 |
| C5O3 | 0.006 | 1 | 0 | C4,C5,C6,C7,C8,O9,O10,O11 |