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:55 eV; [M+H]+
Database: Institute of Plant Biochemistry, Halle, Germany
Entry ID: PB000263
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: 67.016, 68.995, 79.052, 90.044, 91.051, 96.018, 103.052, 107.046, 116.057, 117.061, 119.046, 123.038, 125.02, 128.058, 129.063, 131.046, 132.051, 134.037, 135.04, 137.021, 140.06, 143.047, 145.059, 149.022, 152.007, 153.018, 156.055, 157.058, 159.048, 160.052, 168.057, 170.024, 171.044, 173.06, 183.052, 185.061, 186.067, 196.053, 197.06, 199.04, 200.047, 212.049, 213.055, 216.043, 225.054, 242.058,
Processing time: 0:00:06.661430
Queried mass list: ['55.015', '65.036', '68.023', '77.037', '89.036', '95.048', '102.044', '105.065', '108.022', '111.009', '115.052', '118.040', '121.037', '124.012', '127.049', '130.041', '133.060', '136.014', '139.052', '141.068', '144.053', '147.043', '151.049', '155.052', '158.040', '167.048', '169.064', '172.051', '179.047', '181.065', '184.053', '187.049', '195.047', '198.059', '201.056', '211.049', '214.061', '224.047', '227.036', '229.081', '241.050', '253.052', '269.048']
| Queried mass | Num. matched formulas | Num. matched fragments |
| 55.015 (link to fragments) | 1 | 18 |
| 65.036 (link to fragments) | 2 | 55 |
| 68.023 (link to fragments) | 2 | 25 |
| 77.037 (link to fragments) | 2 | 94 |
| 89.036 (link to fragments) | 2 | 126 |
| 95.048 (link to fragments) | 3 | 103 |
| 102.044 (link to fragments) | 2 | 178 |
| 105.065 (link to fragments) | 2 | 173 |
| 108.022 (link to fragments) | 3 | 169 |
| 111.009 (link to fragments) | 3 | 325 |
| 115.052 (link to fragments) | 3 | 370 |
| 118.04 (link to fragments) | 2 | 196 |
| 121.037 (link to fragments) | 3 | 212 |
| 124.012 (link to fragments) | 3 | 283 |
| 127.049 (link to fragments) | 4 | 335 |
| 130.041 (link to fragments) | 2 | 238 |
| 133.06 (link to fragments) | 4 | 178 |
| 136.014 (link to fragments) | 3 | 271 |
| 139.052 (link to fragments) | 4 | 234 |
| 141.068 (link to fragments) | 2 | 207 |
| 144.053 (link to fragments) | 3 | 21 |
| 147.043 (link to fragments) | 4 | 78 |
| 151.049 (link to fragments) | 4 | 75 |
| 155.052 (link to fragments) | 4 | 59 |
| 158.04 (link to fragments) | 1 | 3 |
| 167.048 (link to fragments) | 3 | 4 |
| 169.064 (link to fragments) | 2 | 3 |
| 172.051 (link to fragments) | 3 | 4 |
| 179.047 (link to fragments) | 2 | 4 |
| 181.065 (link to fragments) | 1 | 3 |
| 184.053 (link to fragments) | 2 | 4 |
| 187.049 (link to fragments) | 2 | 4 |
| 195.047 (link to fragments) | 2 | 5 |
| 198.059 (link to fragments) | 2 | 5 |
| 201.056 (link to fragments) | 1 | 1 |
| 211.049 (link to fragments) | 1 | 2 |
| 214.061 (link to fragments) | 1 | 2 |
| 224.047 | No match found! | No match found! |
| 227.036 | No match found! | No match found! |
| 229.081 | No match found! | No match found! |
| 241.05 | No match found! | No match found! |
| 253.052 | No match found! | No match found! |
| 269.048 (link to fragments) | 2 | 5 |