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: 75%; R=7500; [M+H]+
Database: Department of Environmental Chemistry, Eawag
Entry ID: EA278106
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: 92.0495, 128.0261, 148.0632, 156.021, 168.9925, 170.0, 182.0241, 183.032, 212.0346,
Processing time: 0:00:03.351733
Queried mass list: ['63.023', '72.081', '90.034', '93.057', '100.112', '113.002', '126.010', '129.010', '140.998', '144.021', '147.055', '154.005', '168.008', '181.017', '184.016', '187.003', '211.027', '227.058']
| Queried mass | Num. matched formulas | Num. matched fragments |
| 63.0228 (link to fragments) | 4 | 36 |
| 72.0807 (link to fragments) | 7 | 34 |
| 90.0338 (link to fragments) | 5 | 59 |
| 93.0573 (link to fragments) | 7 | 47 |
| 100.1121 (link to fragments) | 8 | 67 |
| 113.0024 (link to fragments) | 9 | 71 |
| 126.0105 (link to fragments) | 12 | 61 |
| 129.0103 (link to fragments) | 9 | 43 |
| 140.9975 (link to fragments) | 12 | 67 |
| 144.0211 (link to fragments) | 12 | 70 |
| 147.0554 (link to fragments) | 10 | 70 |
| 154.0053 (link to fragments) | 10 | 58 |
| 168.0085 (link to fragments) | 9 | 29 |
| 181.017 (link to fragments) | 1 | 1 |
| 184.016 (link to fragments) | 1 | 1 |
| 187.003 (link to fragments) | 1 | 1 |
| 211.027 (link to fragments) | 4 | 5 |
| 227.0581 (link to fragments) | 3 | 3 |