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: 60%; R=15000; [M+H]+
Database: Department of Environmental Chemistry, Eawag
Entry ID: EA278111
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: 128.0263, 148.0632, 168.9921, 184.0161, 212.0347,
Processing time: 0:00:02.958212
Queried mass list: ['93.057', '100.112', '126.011', '140.998', '147.055', '154.005', '156.021', '168.008', '183.032', '211.027', '227.058']
| Queried mass | Num. matched formulas | Num. matched fragments |
| 93.0571 (link to fragments) | 7 | 47 |
| 100.1121 (link to fragments) | 8 | 67 |
| 126.0106 (link to fragments) | 12 | 68 |
| 140.9976 (link to fragments) | 12 | 68 |
| 147.0554 (link to fragments) | 10 | 112 |
| 154.0046 (link to fragments) | 12 | 100 |
| 156.0211 (link to fragments) | 13 | 98 |
| 168.0084 (link to fragments) | 11 | 35 |
| 183.032 (link to fragments) | 1 | 1 |
| 211.0273 (link to fragments) | 4 | 5 |
| 227.0582 (link to fragments) | 3 | 3 |