Processed databases
Atom-Mass pairs
Outputs for Metoclopramide; LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
Database: Department of Environmental Chemistry, Eawag
Entry ID: EA278111
Synonyms: Metoclopramide, 4-amino-5-chloro-N-(2-diethylaminoethyl)-2-methoxy-benzamide
Total mass: 299.7955
Formula: H22 C14 N3 O2 Cl1
Experimental information
MS type: MS2
Instrument: LTQ Orbitrap XL Thermo Scientific
Instrument type: LC-ESI-ITFT
Ionization: ESI
Ionization mode: POSITIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks:
Replicated queried mass peaks: 128.0263, 148.0632, 168.9921, 184.0161, 212.0347,
Processing time: 0:00:02.958212
Results for the quried mass "168.0084"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C10N3 | 0.166 | 6 | 0 | C4,C6,C7,C8,C9,C10,C11,C12,C13,C14,N16,N17,N18 |
| C10N3 | 0.166 | 6 | 0 | C1,C4,C5,C6,C7,C8,C10,C11,C12,C14,N16,N17,N18 |
| C10N3 | 0.166 | 6 | 0 | C1,C4,C5,C6,C7,C9,C10,C12,C13,C14,N16,N17,N18 |
| C10N3 | 0.166 | 6 | 0 | C5,C6,C7,C8,C9,C10,C11,C12,C13,C14,N16,N17,N18 |
| C8N1O1Cl1 | 0.416 | 6 | 1 | C6,C7,C9,C10,C11,C12,C13,C14,Cl15,N17,O20 |
| C8N1O1Cl1 | 0.416 | 6 | 0 | C6,C7,C9,C10,C11,C12,C13,C14,Cl15,N17,O19 |
| C8N1O1Cl1 | 0.416 | 6 | 1 | C6,C8,C9,C10,C11,C12,C13,C14,Cl15,N17,O19 |
| C7N1O2Cl1 | 0.459 | 2 | 0 | C6,C9,C10,C11,C12,C13,C14,Cl15,N17,O19,O20 |
| C7N1O2Cl1 | 0.459 | 2 | 0 | C8,C9,C10,C11,C12,C13,C14,Cl15,N17,O19,O20 |
| C9N3O1 | 0.123 | 2 | 0 | C4,C6,C7,C8,C10,C11,C12,C13,C14,N16,N17,N18,O20 |
| C9N3O1 | 0.123 | 2 | 0 | C5,C6,C7,C8,C10,C11,C12,C13,C14,N16,N17,N18,O20 |
| C9N3O1 | 0.123 | 2 | 0 | C6,C7,C8,C9,C10,C11,C12,C13,C14,N16,N17,N18,O20 |
| C9N3O1 | 0.123 | 2 | 0 | C6,C7,C8,C9,C10,C11,C12,C13,C14,N16,N17,N18,O19 |
| C7N2O1Cl1 | 0.436 | 4 | 0 | C4,C6,C7,C8,C10,C11,C14,Cl15,N17,N18,O19 |
| C7N2O1Cl1 | 0.436 | 4 | 0 | C5,C6,C7,C8,C10,C11,C14,Cl15,N17,N18,O19 |
| C8N2Cl1 | 0.393 | 8 | 0 | C1,C4,C6,C7,C8,C10,C11,C14,Cl15,N17,N18 |
| C8N2Cl1 | 0.393 | 8 | 0 | C4,C5,C6,C7,C8,C10,C11,C14,Cl15,N17,N18 |
| C8N2Cl1 | 0.393 | 8 | 1 | C4,C6,C7,C8,C10,C11,C12,C14,Cl15,N17,N18 |
| C8N2Cl1 | 0.393 | 8 | 1 | C4,C6,C7,C8,C10,C11,C13,C14,Cl15,N17,N18 |
| C8N2Cl1 | 0.393 | 8 | 0 | C2,C5,C6,C7,C8,C10,C11,C14,Cl15,N17,N18 |
| C8N2Cl1 | 0.393 | 8 | 1 | C5,C6,C7,C8,C10,C11,C12,C14,Cl15,N17,N18 |
| C8N2Cl1 | 0.393 | 8 | 1 | C5,C6,C7,C8,C10,C11,C13,C14,Cl15,N17,N18 |
| C8N2Cl1 | 0.393 | 8 | 1 | C6,C7,C9,C10,C11,C12,C13,C14,Cl15,N16,N17 |
| C9N2O2 | 0.100 | 0 | 0 | C6,C7,C8,C9,C10,C11,C12,C13,C14,N17,N18,O19,O20 |
| C9N2O1 | 0.227 | 16 | 0 | C1,C2,C4,C5,C6,C7,C8,C10,C14,N17,N18,O19 |
| C11N2 | 0.186 | 8 | 0 | C1,C4,C6,C7,C8,C9,C10,C11,C12,C13,C14,N17,N18 |
| C11N2 | 0.186 | 8 | 0 | C4,C5,C6,C7,C8,C9,C10,C11,C12,C13,C14,N17,N18 |
| C11N2 | 0.186 | 8 | 0 | C1,C4,C5,C6,C7,C8,C9,C10,C11,C12,C14,N17,N18 |
| C11N2 | 0.186 | 8 | 0 | C1,C4,C5,C6,C7,C9,C10,C11,C12,C13,C14,N17,N18 |
| C11N2 | 0.186 | 8 | 0 | C2,C5,C6,C7,C8,C9,C10,C11,C12,C13,C14,N17,N18 |
| C7N3Cl1 | 0.413 | 6 | 0 | C6,C7,C8,C10,C11,C12,C14,Cl15,N16,N17,N18 |
| C10N2O1 | 0.143 | 4 | 0 | C4,C6,C7,C8,C9,C10,C11,C12,C13,C14,N17,N18,O20 |
| C10N2O1 | 0.143 | 4 | 0 | C4,C6,C7,C8,C9,C10,C11,C12,C13,C14,N17,N18,O19 |
| C10N2O1 | 0.143 | 4 | 0 | C5,C6,C7,C8,C9,C10,C11,C12,C13,C14,N17,N18,O20 |
| C10N2O1 | 0.143 | 4 | 0 | C5,C6,C7,C8,C9,C10,C11,C12,C13,C14,N17,N18,O19 |