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-QTOF; MS2; CE:40 eV; [M+H]+
Database: Institute of Plant Biochemistry, Halle, Germany
Entry ID: PB000262
Synonyms: Biochanin A , 5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-one
Total mass: 284.263
Formula: H12 C16 O5
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: 68.995, 105.066, 119.047, 123.04, 130.042, 131.049, 133.062, 136.016, 145.058, 152.009, 153.018, 157.062, 159.06, 163.041, 168.059, 170.026, 171.052, 173.066, 183.066, 185.062, 186.067, 197.061, 198.068, 200.049, 201.067, 212.056, 213.057, 215.068, 216.045, 225.056, 226.064, 230.091, 242.06, 243.064, 253.054, 254.06, 270.058, 271.061, 286.08,
Processing time: 0:00:07.510619
Queried mass list: ['67.016', '79.053', '90.044', '96.018', '103.053', '107.047', '111.010', '115.052', '118.040', '121.036', '124.012', '129.064', '132.052', '135.043', '139.041', '141.070', '144.052', '146.070', '149.022', '151.041', '155.058', '158.038', '161.078', '167.039', '169.066', '172.053', '179.037', '181.068', '184.054', '187.074', '196.054', '199.062', '211.066', '214.065', '224.049', '227.050', '229.088', '241.052', '252.047', '269.050', '285.076']
| Queried mass | Num. matched formulas | Num. matched fragments |
| 67.016 (link to fragments) | 2 | 44 |
| 79.053 (link to fragments) | 2 | 90 |
| 90.044 (link to fragments) | 3 | 174 |
| 96.018 (link to fragments) | 3 | 104 |
| 103.053 (link to fragments) | 3 | 255 |
| 107.047 (link to fragments) | 4 | 175 |
| 111.01 (link to fragments) | 2 | 168 |
| 115.052 (link to fragments) | 3 | 155 |
| 118.04 (link to fragments) | 2 | 77 |
| 121.036 (link to fragments) | 2 | 94 |
| 124.012 (link to fragments) | 2 | 249 |
| 129.064 (link to fragments) | 2 | 261 |
| 132.052 (link to fragments) | 4 | 266 |
| 135.043 (link to fragments) | 5 | 449 |
| 139.041 (link to fragments) | 5 | 392 |
| 141.07 (link to fragments) | 3 | 349 |
| 144.052 (link to fragments) | 4 | 138 |
| 146.07 (link to fragments) | 4 | 130 |
| 149.022 (link to fragments) | 5 | 435 |
| 151.041 (link to fragments) | 5 | 372 |
| 155.058 (link to fragments) | 1 | 3 |
| 158.038 (link to fragments) | 1 | 3 |
| 161.078 (link to fragments) | 2 | 4 |
| 167.039 (link to fragments) | 3 | 4 |
| 169.066 (link to fragments) | 2 | 3 |
| 172.053 (link to fragments) | 3 | 4 |
| 179.037 (link to fragments) | 2 | 4 |
| 181.068 (link to fragments) | 1 | 3 |
| 184.054 (link to fragments) | 1 | 3 |
| 187.074 (link to fragments) | 1 | 3 |
| 196.054 (link to fragments) | 2 | 5 |
| 199.062 | No match found! | No match found! |
| 211.066 | No match found! | No match found! |
| 214.065 | No match found! | No match found! |
| 224.049 | No match found! | No match found! |
| 227.05 | No match found! | No match found! |
| 229.088 | No match found! | No match found! |
| 241.052 | No match found! | No match found! |
| 252.047 | No match found! | No match found! |
| 269.05 (link to fragments) | 2 | 5 |
| 285.076 (link to fragments) | 1 | 1 |