Esculetin; LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-

Computational Annotation of MS Peaks (CAMP)

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Atom-Mass pairs

Submission id: BML01684

Outputs for Esculetin; LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-

Database: Institute of Biological Chemistry, Washington State University
Entry ID: BML01684
Synonyms: Esculetin
Total mass: 178.1413
Formula: H6 C9 O4

Experimental information

MS type: MS2
Instrument: Agilent 1200 RRLC; Agilent 6520 QTOF
Instrument type: LC-ESI-QTOF
Ionization mode: NEGATIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks:
Replicated queried mass peaks: 104.0259, 105.0654, 106.1528, 107.0142, 133.0666, 133.0891, 149.3111,
Processing time: 0:00:01.193403

Results for the quried mass "102.0886"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C6O2	0.041	2	0	C3,C4,C5,C6,C7,C8,O10,O11
C6O2	0.041	2	0	C1,C3,C4,C5,C6,C7,O10,O11
C6O2	0.041	2	0	C1,C2,C4,C5,C8,C9,O12,O13
C6O2	0.041	2	0	C1,C2,C3,C5,C8,C9,O12,O13
C6O2	0.041	2	0	C1,C2,C3,C5,C6,C7,O10,O11
C6O2	0.041	2	0	C1,C2,C3,C5,C6,C9,O10,O12