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: FIO00080

Outputs for Aesculetin; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV

Database: Natural Product Chemistry Lab (CPqRR/FIOCRUZ, Brazil)
Entry ID: FIO00080
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: 106.0377, 124.0474, 134.0325,
Processing time: 0:00:01.497604
Queried mass list: ['77.037', '89.037', '95.049', '105.034', '123.044', '133.028', '179.034']

Queried mass	Num. matched formulas	Num. matched fragments
77.0374 (link to fragments)	2	49
89.0371 (link to fragments)	2	52
95.0487 (link to fragments)	3	14
105.0338 (link to fragments)	1	6
123.044 (link to fragments)	3	6
133.0284 (link to fragments)	2	5
179.0336 (link to fragments)	1	1