Processed databases
Atom-Mass pairs
Outputs for Metoclopramide; LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
Database: Department of Environmental Chemistry, Eawag
Entry ID: EA278105
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: 168.9917, 184.016,
Processing time: 0:00:02.566789
Results for the quried mass "140.9977"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C8N3 | 0.132 | 3 | 0 | C4,C6,C7,C9,C10,C12,C13,C14,N16,N17,N18 |
| C8N3 | 0.132 | 3 | 0 | C4,C6,C7,C8,C10,C11,C12,C14,N16,N17,N18 |
| C8N3 | 0.132 | 3 | 0 | C5,C6,C7,C9,C10,C12,C13,C14,N16,N17,N18 |
| C8N3 | 0.132 | 3 | 0 | C5,C6,C7,C8,C10,C11,C12,C14,N16,N17,N18 |
| C8N3 | 0.132 | 3 | 0 | C6,C7,C8,C9,C10,C12,C13,C14,N16,N17,N18 |
| C8N3 | 0.132 | 3 | 0 | C6,C7,C8,C10,C11,C12,C13,C14,N16,N17,N18 |
| C8N3 | 0.132 | 3 | 0 | C6,C7,C8,C9,C10,C11,C12,C14,N16,N17,N18 |
| C8N3 | 0.132 | 3 | 0 | C6,C7,C9,C10,C11,C12,C13,C14,N16,N17,N18 |
| C8N1O2 | 0.085 | 1 | 0 | C6,C8,C9,C10,C11,C12,C13,C14,N17,O19,O20 |
| C8N1O2 | 0.085 | 1 | 0 | C6,C7,C8,C10,C11,C12,C13,C14,N17,O19,O20 |
| C8N1O2 | 0.085 | 1 | 0 | C6,C7,C9,C10,C11,C12,C13,C14,N17,O19,O20 |
| C8N1O2 | 0.085 | 1 | 0 | C6,C7,C8,C9,C10,C12,C13,C14,N17,O19,O20 |
| C8N1O2 | 0.085 | 1 | 0 | C6,C7,C8,C9,C10,C11,C13,C14,N17,O19,O20 |
| C6N2Cl1 | 0.428 | 5 | 0 | C6,C7,C8,C10,C11,C14,Cl15,N17,N18 |
| C6N2Cl1 | 0.428 | 5 | 0 | C6,C8,C10,C11,C12,C14,Cl15,N16,N17 |
| C6N2Cl1 | 0.428 | 5 | 1 | C8,C9,C10,C11,C12,C14,Cl15,N16,N17 |
| C6N1O1Cl1 | 0.451 | 3 | 0 | C3,C8,C9,C11,C12,C13,Cl15,N16,O20 |
| C9N2 | 0.151 | 5 | 0 | C4,C6,C7,C8,C9,C10,C11,C12,C14,N17,N18 |
| C9N2 | 0.151 | 5 | 0 | C4,C6,C7,C9,C10,C11,C12,C13,C14,N17,N18 |
| C9N2 | 0.151 | 5 | 0 | C1,C4,C6,C7,C8,C10,C11,C12,C14,N17,N18 |
| C9N2 | 0.151 | 5 | 0 | C1,C4,C6,C7,C9,C10,C12,C13,C14,N17,N18 |
| C9N2 | 0.151 | 5 | 0 | C4,C5,C6,C7,C8,C10,C11,C12,C14,N17,N18 |
| C9N2 | 0.151 | 5 | 0 | C4,C5,C6,C7,C9,C10,C12,C13,C14,N17,N18 |
| C9N2 | 0.151 | 5 | 0 | C4,C6,C7,C8,C10,C11,C12,C13,C14,N17,N18 |
| C9N2 | 0.151 | 5 | 0 | C4,C6,C7,C8,C9,C10,C11,C13,C14,N17,N18 |
| C9N2 | 0.151 | 5 | 0 | C4,C6,C7,C8,C9,C10,C12,C13,C14,N17,N18 |
| C9N2 | 0.151 | 5 | 0 | C1,C4,C5,C6,C7,C8,C10,C11,C14,N17,N18 |
| C9N2 | 0.151 | 5 | 0 | C1,C4,C5,C6,C7,C9,C10,C13,C14,N17,N18 |
| C9N2 | 0.151 | 5 | 0 | C1,C4,C6,C7,C8,C9,C10,C13,C14,N17,N18 |
| C9N2 | 0.151 | 5 | 0 | C1,C4,C6,C7,C8,C10,C11,C13,C14,N17,N18 |
| C9N2 | 0.151 | 5 | 0 | C4,C5,C6,C7,C8,C9,C10,C13,C14,N17,N18 |
| C9N2 | 0.151 | 5 | 0 | C4,C5,C6,C7,C8,C10,C11,C13,C14,N17,N18 |
| C9N2 | 0.151 | 5 | 0 | C5,C6,C7,C8,C9,C10,C11,C12,C14,N17,N18 |
| C9N2 | 0.151 | 5 | 0 | C5,C6,C7,C9,C10,C11,C12,C13,C14,N17,N18 |
| C9N2 | 0.151 | 5 | 0 | C2,C5,C6,C7,C8,C10,C11,C12,C14,N17,N18 |
| C9N2 | 0.151 | 5 | 0 | C2,C5,C6,C7,C9,C10,C12,C13,C14,N17,N18 |
| C9N2 | 0.151 | 5 | 0 | C5,C6,C7,C8,C10,C11,C12,C13,C14,N17,N18 |
| C9N2 | 0.151 | 5 | 0 | C5,C6,C7,C8,C9,C10,C11,C13,C14,N17,N18 |
| C9N2 | 0.151 | 5 | 0 | C5,C6,C7,C8,C9,C10,C12,C13,C14,N17,N18 |
| C9N2 | 0.151 | 5 | 0 | C2,C5,C6,C7,C8,C9,C10,C13,C14,N17,N18 |
| C9N2 | 0.151 | 5 | 0 | C2,C5,C6,C7,C8,C10,C11,C13,C14,N17,N18 |
| C9N2 | 0.151 | 5 | 0 | C6,C7,C8,C9,C10,C11,C12,C13,C14,N17,N18 |
| C9N2 | 0.151 | 5 | 0 | C6,C7,C8,C9,C10,C11,C12,C13,C14,N16,N17 |
| C7N3O1 | 0.089 | 1 | 0 | C6,C7,C9,C10,C12,C13,C14,N16,N17,N18,O20 |
| C7N3O1 | 0.089 | 1 | 0 | C6,C7,C8,C10,C11,C12,C14,N16,N17,N18,O19 |
| C7N3O1 | 0.089 | 1 | 0 | C6,C7,C9,C10,C12,C13,C14,N16,N17,N18,O19 |
| C6O2Cl1 | 0.474 | 1 | 0 | C8,C9,C10,C11,C13,C14,Cl15,O19,O20 |
| C6O2Cl1 | 0.474 | 1 | 0 | C8,C10,C11,C12,C13,C14,Cl15,O19,O20 |
| C6O2Cl1 | 0.474 | 1 | 0 | C9,C10,C11,C12,C13,C14,Cl15,O19,O20 |
| C8N2O1 | 0.109 | 1 | 0 | C4,C6,C7,C8,C10,C11,C12,C14,N17,N18,O19 |
| C8N2O1 | 0.109 | 1 | 0 | C4,C6,C7,C8,C10,C11,C13,C14,N17,N18,O20 |
| C8N2O1 | 0.109 | 1 | 0 | C4,C6,C7,C9,C10,C12,C13,C14,N17,N18,O20 |
| C8N2O1 | 0.109 | 1 | 0 | C4,C6,C7,C9,C10,C12,C13,C14,N17,N18,O19 |
| C8N2O1 | 0.109 | 1 | 0 | C1,C4,C5,C6,C7,C10,C13,C14,N17,N18,O20 |
| C8N2O1 | 0.109 | 1 | 0 | C1,C4,C6,C7,C8,C10,C13,C14,N17,N18,O20 |
| C8N2O1 | 0.109 | 1 | 0 | C1,C4,C6,C7,C8,C10,C11,C14,N17,N18,O19 |
| C8N2O1 | 0.109 | 1 | 0 | C1,C4,C6,C7,C9,C10,C13,C14,N17,N18,O19 |
| C8N2O1 | 0.109 | 1 | 0 | C4,C5,C6,C7,C8,C10,C13,C14,N17,N18,O20 |
| C8N2O1 | 0.109 | 1 | 0 | C4,C5,C6,C7,C8,C10,C11,C14,N17,N18,O19 |
| C8N2O1 | 0.109 | 1 | 0 | C4,C5,C6,C7,C9,C10,C13,C14,N17,N18,O19 |
| C8N2O1 | 0.109 | 1 | 0 | C4,C6,C7,C8,C9,C10,C13,C14,N17,N18,O19 |
| C8N2O1 | 0.109 | 1 | 0 | C4,C6,C7,C8,C10,C11,C13,C14,N17,N18,O19 |
| C8N2O1 | 0.109 | 1 | 0 | C1,C4,C5,C6,C7,C8,C10,C14,N17,N18,O19 |
| C8N2O1 | 0.109 | 1 | 0 | C1,C4,C5,C6,C7,C10,C13,C14,N17,N18,O19 |
| C8N2O1 | 0.109 | 1 | 0 | C5,C6,C7,C8,C10,C11,C12,C14,N17,N18,O19 |
| C8N2O1 | 0.109 | 1 | 0 | C5,C6,C7,C8,C10,C11,C13,C14,N17,N18,O20 |
| C8N2O1 | 0.109 | 1 | 0 | C5,C6,C7,C9,C10,C12,C13,C14,N17,N18,O20 |
| C8N2O1 | 0.109 | 1 | 0 | C5,C6,C7,C9,C10,C12,C13,C14,N17,N18,O19 |
| C8N2O1 | 0.109 | 1 | 0 | C2,C5,C6,C7,C8,C10,C13,C14,N17,N18,O20 |
| C8N2O1 | 0.109 | 1 | 0 | C2,C5,C6,C7,C8,C10,C11,C14,N17,N18,O19 |
| C8N2O1 | 0.109 | 1 | 0 | C2,C5,C6,C7,C9,C10,C13,C14,N17,N18,O19 |
| C8N2O1 | 0.109 | 1 | 0 | C5,C6,C7,C8,C9,C10,C13,C14,N17,N18,O19 |
| C8N2O1 | 0.109 | 1 | 0 | C5,C6,C7,C8,C10,C11,C13,C14,N17,N18,O19 |
| C8N2O1 | 0.109 | 1 | 0 | C6,C8,C9,C10,C11,C12,C13,C14,N16,N17,O20 |
| C8N2O1 | 0.109 | 1 | 0 | C6,C7,C8,C10,C11,C12,C13,C14,N16,N17,O20 |
| C8N2O1 | 0.109 | 1 | 0 | C6,C7,C8,C10,C11,C12,C13,C14,N17,N18,O20 |
| C8N2O1 | 0.109 | 1 | 0 | C6,C7,C9,C10,C11,C12,C13,C14,N17,N18,O20 |
| C8N2O1 | 0.109 | 1 | 0 | C6,C7,C8,C9,C10,C11,C12,C14,N17,N18,O19 |
| C8N2O1 | 0.109 | 1 | 0 | C6,C7,C9,C10,C11,C12,C13,C14,N17,N18,O19 |
| C8N2O1 | 0.109 | 1 | 0 | C6,C8,C9,C10,C11,C12,C13,C14,N16,N17,O19 |
| C8N2O1 | 0.109 | 1 | 0 | C6,C7,C8,C9,C10,C11,C13,C14,N17,N18,O19 |
| C8N2O1 | 0.109 | 1 | 0 | C6,C7,C8,C9,C10,C12,C13,C14,N17,N18,O20 |
| C8N2O1 | 0.109 | 1 | 0 | C6,C7,C8,C9,C10,C12,C13,C14,N16,N17,O20 |
| C8N2O1 | 0.109 | 1 | 0 | C6,C7,C8,C9,C10,C12,C13,C14,N17,N18,O19 |
| C8N2O1 | 0.109 | 1 | 0 | C6,C7,C8,C9,C10,C12,C13,C14,N16,N17,O19 |
| C8N2O1 | 0.109 | 1 | 0 | C6,C7,C8,C9,C10,C11,C13,C14,N17,N18,O20 |
| C8N2O1 | 0.109 | 1 | 0 | C6,C7,C8,C10,C11,C12,C13,C14,N17,N18,O19 |
| C8N2O1 | 0.109 | 1 | 0 | C6,C7,C8,C10,C11,C12,C13,C14,N16,N17,O19 |
| C7N2O1 | 0.193 | 13 | 0 | C1,C2,C4,C5,C6,C7,C14,N17,N18,O19 |
| C5N1O2Cl1 | 0.494 | 1 | 0 | C8,C10,C11,C13,C14,Cl15,N17,O19,O20 |
| C9N1O1 | 0.128 | 3 | 0 | C6,C7,C8,C9,C10,C11,C12,C13,C14,N17,O20 |
| C9N1O1 | 0.128 | 3 | 0 | C6,C7,C8,C9,C10,C11,C12,C13,C14,N17,O19 |
| C6N2O2 | 0.150 | 9 | 2 | C4,C6,C7,C10,C13,C14,N17,N18,O19,O20 |
| C6N2O2 | 0.150 | 9 | 2 | C5,C6,C7,C10,C13,C14,N17,N18,O19,O20 |
| C5N2O1Cl1 | 0.471 | 1 | 0 | C8,C10,C11,C12,C14,Cl15,N16,N17,O19 |