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: FIO00084

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

Database: Natural Product Chemistry Lab (CPqRR/FIOCRUZ, Brazil)
Entry ID: FIO00084
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: NEGATIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks:
Replicated queried mass peaks: 95.05, 106.038, 107.0137, 134.0332, 149.0245, 150.0284, 178.023,
Processing time: 0:00:01.803642
Queried mass list: ['89.040', '93.035', '97.029', '105.035', '109.029', '121.029', '125.025', '131.014', '133.029', '139.040', '148.016', '177.019']

Queried mass	Num. matched formulas	Num. matched fragments
89.0402 (link to fragments)	2	49
93.035 (link to fragments)	2	32
97.0293 (link to fragments)	3	13
105.035 (link to fragments)	1	6
109.0294 (link to fragments)	2	8
121.0295 (link to fragments)	2	6
125.0246 (link to fragments)	2	4
131.0136 (link to fragments)	2	5
133.0294 (link to fragments)	2	5
139.0403 (link to fragments)	2	4
148.0164 (link to fragments)	2	8
177.0195 (link to fragments)	1	1