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=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
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, 92.0493, 100.1121, 128.0261, 148.0631, 156.0211, 168.9925, 170.0003, 182.024, 183.032, 212.0346,
Processing time: 0:00:04.120395
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', '113.002', '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', '227.059', '300.147']
| Queried mass | Num. matched formulas | Num. matched fragments |
| 54.0338 (link to fragments) | 4 | 20 |
| 63.0229 (link to fragments) | 4 | 36 |
| 72.0808 (link to fragments) | 7 | 34 |
| 78.0338 (link to fragments) | 6 | 46 |
| 82.0289 (link to fragments) | 7 | 25 |
| 87.9948 (link to fragments) | 5 | 40 |
| 90.0338 (link to fragments) | 5 | 57 |
| 93.0573 (link to fragments) | 7 | 44 |
| 98.9996 (link to fragments) | 9 | 47 |
| 102.0102 (link to fragments) | 6 | 65 |
| 105.0446 (link to fragments) | 7 | 71 |
| 108.0444 (link to fragments) | 7 | 57 |
| 113.0025 (link to fragments) | 9 | 66 |
| 115.9897 (link to fragments) | 7 | 69 |
| 120.0444 (link to fragments) | 8 | 56 |
| 126.0105 (link to fragments) | 11 | 53 |
| 129.01 (link to fragments) | 9 | 41 |
| 140.9976 (link to fragments) | 11 | 59 |
| 144.021 (link to fragments) | 10 | 58 |
| 147.055 (link to fragments) | 9 | 58 |
| 154.0054 (link to fragments) | 9 | 53 |
| 168.0085 (link to fragments) | 9 | 29 |
| 181.0163 (link to fragments) | 1 | 1 |
| 184.016 (link to fragments) | 1 | 1 |
| 187.0032 (link to fragments) | 1 | 1 |
| 211.0268 (link to fragments) | 4 | 5 |
| 227.0588 (link to fragments) | 3 | 3 |
| 300.1467 (link to fragments) | 1 | 1 |