Processed databases
Atom-Mass pairs
Related entries (identical compound):
BML00777
BML00772
BML80821
BML80820
BML80823
BML80822
BML00747
PB005711
PB005710
CE000048
CE000049
CE000046
CE000047
PB000262
PB000263
PB000261
BML00761
BML00767
PB005707
PB005708
PB005709
CE000050
BML00754
PB000241
Outputs for Biochanin_A; LC-ESI-ITFT; MS2; CE 35 eV; [M+H]+
Database: MPI for Chemical Ecology, Jena, Germany
Entry ID: CE000046
Synonyms: Biochanin_A
Total mass: 284.263
Formula: H12 C16 O5
Structure file (with ALATIS unique atom labels)
Experimental information
MS type: MS2Instrument: LTQ Orbitrap XL, Thermo Scientfic; HP-1100 HPLC, Agilent
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: 124.015373, 124.488213, 133.064774, 149.023346, 153.018127, 180.145142, 180.583603, 188.450394, 197.060074, 201.054886, 243.065231, 252.607941, 253.049896, 253.224182, 257.081177, 269.045013, 269.858002, 270.052826, 271.057159, 285.075836, 285.603699, 286.078857,
Processing time: 0:00:06.280765
Queried mass list: ['75.168', '81.207', '95.049', '100.137', '103.054', '107.049', '114.108', '118.041', '121.028', '123.044', '128.527', '131.049', '139.039', '147.044', '152.010', '158.902', '163.039', '167.034', '170.021', '173.060', '179.034', '183.080', '187.075', '192.042', '195.839', '199.075', '211.077', '215.071', '225.053', '229.086', '239.071', '242.058', '252.042', '255.066', '259.827', '267.066', '269.568', '284.293']
| Queried mass | Num. matched formulas | Num. matched fragments |
| 75.167694 (link to fragments) | 2 | 107 |
| 81.20742 (link to fragments) | 2 | 20 |
| 95.048599 (link to fragments) | 3 | 106 |
| 100.137169 (link to fragments) | 2 | 207 |
| 103.053665 (link to fragments) | 3 | 260 |
| 107.048592 (link to fragments) | 4 | 180 |
| 114.107971 (link to fragments) | 3 | 373 |
| 118.041237 (link to fragments) | 2 | 191 |
| 121.028091 (link to fragments) | 2 | 72 |
| 123.043961 (link to fragments) | 2 | 195 |
| 128.527054 (link to fragments) | 2 | 201 |
| 131.049301 (link to fragments) | 4 | 115 |
| 139.038925 (link to fragments) | 4 | 177 |
| 147.044022 (link to fragments) | 2 | 3 |
| 152.010361 | No match found! | No match found! |
| 158.902298 | No match found! | No match found! |
| 163.038956 | No match found! | No match found! |
| 167.033646 | No match found! | No match found! |
| 170.020554 | No match found! | No match found! |
| 173.060394 (link to fragments) | 2 | 3 |
| 179.033966 (link to fragments) | 1 | 3 |
| 183.080063 (link to fragments) | 1 | 3 |
| 187.074707 (link to fragments) | 1 | 3 |
| 192.042145 (link to fragments) | 1 | 4 |
| 195.838531 | No match found! | No match found! |
| 199.075195 | No match found! | No match found! |
| 211.077209 | No match found! | No match found! |
| 215.070801 | No match found! | No match found! |
| 225.053085 | No match found! | No match found! |
| 229.086136 | No match found! | No match found! |
| 239.070541 | No match found! | No match found! |
| 242.057587 | No match found! | No match found! |
| 252.041962 | No match found! | No match found! |
| 255.065689 (link to fragments) | 1 | 4 |
| 259.827179 (link to fragments) | 2 | 5 |
| 267.066376 (link to fragments) | 2 | 5 |
| 269.567535 (link to fragments) | 2 | 3 |
| 284.293427 (link to fragments) | 1 | 1 |