Processed databases
Atom-Mass pairs
Related entries (identical compound):
KO002159
KO002158
PB000472
PB000471
PB000470
PR010218
PR100222
KZ000085
KO002162
KO002161
KO002160
KO000104
KO000107
KO000106
KO000105
KO000103
PB000469
Outputs for Aminocaproic acid; LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+
Database: Institute of Plant Biochemistry, Halle, Germany
Entry ID: PB000472
Synonyms: Aminocaproic acid , 6-aminohexanoic acid
Total mass: 131.1724
Formula: H13 C6 O2 N1
Structure file (with ALATIS unique atom labels)
Experimental information
MS type: MS2Instrument: API QSTAR Pulsar i
Instrument type: LC-ESI-QTOF
Ionization: ESI
Ionization mode: POSITIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks:
Replicated queried mass peaks: 43.02, 43.055, 55.057, 57.035, 58.043, 68.051, 69.071, 71.05, 72.081, 80.052, 81.058, 96.083,
Processing time: 0:00:01.996542
Queried mass list: ['39.024', '41.040', '45.035', '51.025', '53.042', '56.051', '59.050', '62.930', '65.040', '67.057', '70.067', '73.066', '77.039', '79.055', '95.051', '105.046']
| Queried mass | Num. matched formulas | Num. matched fragments |
| 39.024 (link to fragments) | 3 | 7 |
| 41.04 (link to fragments) | 3 | 7 |
| 45.035 (link to fragments) | 3 | 3 |
| 51.025 (link to fragments) | 3 | 6 |
| 53.042 (link to fragments) | 3 | 6 |
| 56.051 (link to fragments) | 4 | 7 |
| 59.05 (link to fragments) | 4 | 5 |
| 62.93 (link to fragments) | 3 | 5 |
| 65.04 (link to fragments) | 3 | 5 |
| 67.057 (link to fragments) | 4 | 6 |
| 70.067 (link to fragments) | 5 | 7 |
| 73.066 (link to fragments) | 3 | 3 |
| 77.039 (link to fragments) | 1 | 1 |
| 79.055 (link to fragments) | 2 | 2 |
| 95.051 (link to fragments) | 1 | 1 |
| 105.046 (link to fragments) | 2 | 3 |