Related entries (identical compound): BML81210 PR100939 PR100938 ML003951 JP004081 BML01674 FIO00077 FIO00079 PR100474 ML003901 BML01684 FIO00082 FIO00083 FIO00080 FIO00081 FIO00084 BML81213 BML01652 FIO00078 BML01641 BML81211 BML81212

Submission id: FIO00079

Outputs for Aesculetin; LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV

Database: Natural Product Chemistry Lab (CPqRR/FIOCRUZ, Brazil)
Entry ID: FIO00079
Synonyms: Aesculetin
Total mass: 178.1413
Formula: H6 C9 O4

Structure file (with ALATIS unique atom labels)

Experimental information

MS type: MS2
Instrument: maXis (Bruker Daltonics)
Instrument type: LC-ESI-QTOF
Ionization: ESI
Ionization mode: POSITIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks:
Replicated queried mass peaks: 124.0477, 134.0321, 135.0442, 180.0372,
Processing time: 0:00:01.788341
Queried mass list: ['95.049', '105.034', '117.034', '123.044', '133.029', '151.039', '179.034']

Queried mass	Num. matched formulas	Num. matched fragments
95.0493 (link to fragments)	3	14
105.0337 (link to fragments)	1	6
117.0338 (link to fragments)	1	3
123.0442 (link to fragments)	3	6
133.0287 (link to fragments)	2	5
151.039 (link to fragments)	2	8
179.0339 (link to fragments)	1	1