Processed databases
Atom-Mass pairs
Related entries (identical compound):
EA278106
EA278107
EA278104
EA278105
EA278102
EA278103
EA278101
EA278108
EA278109
EA278111
EA278110
EA278113
EA278112
EA278114
Outputs for Metoclopramide; LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+
Database: Department of Environmental Chemistry, Eawag
Entry ID: EA278113
Synonyms: Metoclopramide, 4-amino-5-chloro-N-(2-diethylaminoethyl)-2-methoxy-benzamide
Total mass: 299.7955
Formula: H22 C14 N3 O2 Cl1
Structure file (with ALATIS unique atom labels)
Experimental information
MS type: MS2Instrument: 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, 92.0494, 100.112, 128.0261, 148.063, 156.021, 168.9924, 170.0002, 182.024, 183.0319, 212.0346,
Processing time: 0:00:03.720680
Queried mass list: ['54.034', '63.023', '72.081', '78.034', '82.029', '87.995', '90.034', '93.057', '99.000', '102.010', '105.045', '108.044', '113.003', '115.990', '120.044', '126.010', '129.010', '140.998', '144.021', '147.055', '154.005', '168.008', '181.016', '184.016', '187.003', '211.027', '227.058']
| Queried mass | Num. matched formulas | Num. matched fragments |
| 54.0338 (link to fragments) | 4 | 20 |
| 63.0229 (link to fragments) | 4 | 36 |
| 72.0807 (link to fragments) | 7 | 34 |
| 78.0338 (link to fragments) | 6 | 46 |
| 82.0287 (link to fragments) | 7 | 25 |
| 87.9947 (link to fragments) | 5 | 40 |
| 90.0338 (link to fragments) | 5 | 57 |
| 93.0572 (link to fragments) | 7 | 44 |
| 98.9996 (link to fragments) | 9 | 47 |
| 102.0104 (link to fragments) | 6 | 65 |
| 105.0447 (link to fragments) | 7 | 71 |
| 108.0443 (link to fragments) | 7 | 57 |
| 113.0026 (link to fragments) | 9 | 66 |
| 115.9897 (link to fragments) | 7 | 69 |
| 120.0443 (link to fragments) | 8 | 56 |
| 126.0104 (link to fragments) | 11 | 53 |
| 129.0101 (link to fragments) | 9 | 41 |
| 140.9976 (link to fragments) | 10 | 58 |
| 144.0209 (link to fragments) | 9 | 57 |
| 147.0553 (link to fragments) | 9 | 58 |
| 154.0053 (link to fragments) | 9 | 53 |
| 168.0085 (link to fragments) | 9 | 29 |
| 181.0162 (link to fragments) | 1 | 1 |
| 184.016 (link to fragments) | 1 | 1 |
| 187.003 (link to fragments) | 1 | 1 |
| 211.0268 (link to fragments) | 4 | 5 |
| 227.0579 (link to fragments) | 3 | 3 |