Processed databases
Atom-Mass pairs
Related entries (identical compound):
OUF00238
PR020019
EQ326505
PB005713
PB005712
PB005715
PB005714
UF416204
UF416201
UF416202
UF416203
PB005721
FFF00198
FFF00194
FFF00195
FFF00196
FFF00197
FFF00193
FFF00199
UF423802
UF423803
UF423801
UF423804
CE000014
CE000013
CE000012
UF416253
UF416252
UF416251
UF416254
SM882751
UF423851
UF423853
UF423852
UF423854
EQ326508
EQ326509
EQ326502
EQ326501
EQ326506
EQ326507
EQ326504
TY000137
TY000136
SM882702
EQ326551
EQ326553
EQ326552
EQ326555
EQ326554
EQ326557
EQ326556
EQ326559
EQ326558
PR040019
PR040020
PR040021
CE000011
PB000882
PB000881
PB000884
PB000885
EQ326503
Outputs for Genistein; LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
Database: Department of Effect-Directed Analysis, Helmholtz Centre for Environmental Research - UFZ GmbH, Leipzig, Germany
Entry ID: UF416202
Synonyms: Genistein, 5,7-Dihydroxy-3-(4-hydroxyphenyl)chromen-4-one
Total mass: 270.2365
Formula: H10 C15 O5
Structure file (with ALATIS unique atom labels)
Experimental information
MS type: MS2Instrument: LTQ Orbitrap XL Thermo Scientific
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: 91.0541, 105.0699, 107.049, 111.0076, 117.0698, 121.0283, 129.0697, 131.0854, 133.0281, 133.0646, 137.0232, 145.0647, 147.0439, 149.0232, 153.0181, 157.0646, 159.0803, 175.075, 183.0286, 183.044, 187.0386, 187.0752, 201.0546, 213.0542, 226.0625, 228.0413, 229.05, 242.057, 243.065,
Processing time: 0:00:06.440839
Queried mass list: ['89.038', '95.013', '105.033', '109.028', '115.054', '119.049', '128.062', '131.049', '135.044', '141.070', '145.028', '147.080', '152.062', '155.049', '159.044', '165.018', '169.065', '173.060', '178.026', '181.065', '185.060', '191.034', '197.060', '200.047', '211.039', '215.070', '225.054', '227.071', '241.049', '253.049', '271.060']
| Queried mass | Num. matched formulas | Num. matched fragments |
| 89.0385 (link to fragments) | 2 | 136 |
| 95.0127 (link to fragments) | 4 | 117 |
| 105.0333 (link to fragments) | 2 | 170 |
| 109.0283 (link to fragments) | 3 | 128 |
| 115.0541 (link to fragments) | 3 | 289 |
| 119.049 (link to fragments) | 4 | 192 |
| 128.0619 (link to fragments) | 2 | 232 |
| 131.049 (link to fragments) | 4 | 115 |
| 135.044 (link to fragments) | 5 | 367 |
| 141.0697 | No match found! | No match found! |
| 145.0283 | No match found! | No match found! |
| 147.0804 (link to fragments) | 1 | 1 |
| 152.0619 (link to fragments) | 1 | 1 |
| 155.0489 | No match found! | No match found! |
| 159.0439 (link to fragments) | 1 | 1 |
| 165.0181 (link to fragments) | 1 | 1 |
| 169.0646 (link to fragments) | 1 | 3 |
| 173.0596 (link to fragments) | 1 | 3 |
| 178.0258 | No match found! | No match found! |
| 181.0646 (link to fragments) | 1 | 4 |
| 185.0598 | No match found! | No match found! |
| 191.0338 | No match found! | No match found! |
| 197.0595 | No match found! | No match found! |
| 200.0466 | No match found! | No match found! |
| 211.0389 | No match found! | No match found! |
| 215.07 | No match found! | No match found! |
| 225.0544 | No match found! | No match found! |
| 227.0708 | No match found! | No match found! |
| 241.0493 | No match found! | No match found! |
| 253.0494 (link to fragments) | 1 | 5 |
| 271.0599 (link to fragments) | 1 | 1 |