Processed databases
Atom-Mass pairs
Related entries (identical compound):
JP003198
JP003194
PR010193
KO002452
KO002451
KO002450
JP003784
SM827301
JP003474
JP000082
KO002448
KO002449
JP009631
SM862301
Outputs for Benzocaine; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
Database: Critical Assessment of Small Molecule Identification 2016, Mass Spectrometry Society of Japan
Entry ID: SM862301
Synonyms: Benzocaine, Benzocain, ethyl 4-aminobenzoate
Total mass: 165.1887
Formula: H11 C9 O2 N1
Structure file (with ALATIS unique atom labels)
Experimental information
MS type: MS2Instrument: Q Exactive Plus Orbitrap Thermo Scientific
Instrument type: LC-ESI-QFT
Ionization: ESI
Ionization mode: POSITIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks:
Replicated queried mass peaks: 67.0542, 93.0573, 94.0651,
Processing time: 0:00:02.330818
Queried mass list: ['53.039', '65.038', '77.038', '92.049', '95.049', '105.045', '120.044', '122.097', '138.055', '166.086']
| Queried mass | Num. matched formulas | Num. matched fragments |
| 53.0388 (link to fragments) | 3 | 13 |
| 65.0385 (link to fragments) | 3 | 21 |
| 77.0385 (link to fragments) | 3 | 20 |
| 92.0494 (link to fragments) | 2 | 3 |
| 95.0491 (link to fragments) | 1 | 2 |
| 105.0447 (link to fragments) | 1 | 3 |
| 120.0444 (link to fragments) | 2 | 3 |
| 122.0965 (link to fragments) | 2 | 3 |
| 138.0549 (link to fragments) | 3 | 5 |
| 166.0863 (link to fragments) | 1 | 1 |