Processed databases
Atom-Mass pairs
Outputs for Metoclopramide; LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
Database: Department of Environmental Chemistry, Eawag
Entry ID: EA278107
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: 65.0385, 92.0493, 100.1121, 128.0261, 148.0631, 156.0211, 168.9925, 170.0003, 182.024, 183.032, 212.0346,
Processing time: 0:00:04.120395
Results for the quried mass "72.0808"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C3N1O1 | 0.005 | 6 | 1 | C6,C7,C14,N17,O19 |
| C2N1Cl1 | 0.392 | 1 | 0 | C11,C12,Cl15,N16 |
| C3Cl1 | 0.412 | 1 | 0 | C8,C10,C11,Cl15 |
| C3Cl1 | 0.412 | 1 | 0 | C8,C11,C12,Cl15 |
| C3Cl1 | 0.412 | 1 | 0 | C9,C11,C12,Cl15 |
| C3N2 | 0.028 | 8 | 2 | C4,C6,C7,N17,N18 |
| C3N2 | 0.028 | 8 | 2 | C5,C6,C7,N17,N18 |
| C5N1 | 0.036 | 2 | 0 | C1,C4,C5,C6,C7,N18 |
| C5N1 | 0.036 | 2 | 0 | C6,C9,C10,C13,C14,N17 |
| C5N1 | 0.036 | 2 | 0 | C6,C8,C10,C11,C14,N17 |
| C5N1 | 0.036 | 2 | 0 | C6,C7,C8,C10,C14,N17 |
| C5N1 | 0.036 | 2 | 0 | C6,C7,C10,C13,C14,N17 |
| C5N1 | 0.036 | 2 | 0 | C6,C8,C10,C13,C14,N17 |
| C5N1 | 0.036 | 2 | 0 | C8,C9,C10,C12,C13,N16 |
| C5N1 | 0.036 | 2 | 0 | C8,C9,C10,C13,C14,N17 |
| C5N1 | 0.036 | 2 | 0 | C8,C9,C11,C12,C13,N16 |
| C5N1 | 0.036 | 2 | 0 | C8,C10,C11,C12,C13,N16 |
| C5N1 | 0.036 | 2 | 0 | C8,C10,C11,C12,C14,N16 |
| C5N1 | 0.036 | 2 | 1 | C8,C10,C11,C12,C14,N17 |
| C5N1 | 0.036 | 2 | 1 | C8,C10,C11,C13,C14,N17 |
| C5N1 | 0.036 | 2 | 0 | C8,C9,C10,C11,C12,N16 |
| C5N1 | 0.036 | 2 | 0 | C9,C10,C12,C13,C14,N16 |
| C5N1 | 0.036 | 2 | 1 | C9,C10,C12,C13,C14,N17 |
| C5N1 | 0.036 | 2 | 0 | C9,C10,C11,C12,C13,N16 |
| C6 | 0.017 | 0 | 0 | C8,C9,C10,C11,C12,C13 |
| C6 | 0.017 | 0 | 0 | C8,C9,C10,C12,C13,C14 |
| C6 | 0.017 | 0 | 0 | C8,C9,C10,C11,C12,C14 |
| C6 | 0.017 | 0 | 0 | C8,C9,C10,C11,C13,C14 |
| C6 | 0.017 | 0 | 0 | C8,C10,C11,C12,C13,C14 |
| C6 | 0.017 | 0 | 0 | C9,C10,C11,C12,C13,C14 |
| C4N1 | 0.048 | 10 | 1 | C1,C4,C6,C7,N18 |
| C4N1 | 0.048 | 10 | 2 | C4,C5,C6,C7,N18 |
| C4N1 | 0.048 | 10 | 1 | C1,C4,C5,C7,N18 |
| C4N1 | 0.048 | 10 | 1 | C2,C5,C6,C7,N18 |