Biochanin_A; LC-ESI-ITFT; MS2; CE 45 eV; [M+H]+

Computational Annotation of MS Peaks (CAMP)

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Atom-Mass pairs

Submission id: CE000047

Outputs for Biochanin_A; LC-ESI-ITFT; MS2; CE 45 eV; [M+H]+

Database: MPI for Chemical Ecology, Jena, Germany
Entry ID: CE000047
Synonyms: Biochanin_A
Total mass: 284.263
Formula: H12 C16 O5

Experimental information

MS type: MS2
Instrument: LTQ Orbitrap XL, Thermo Scientfic; HP-1100 HPLC, Agilent
Instrument type: LC-ESI-ITFT
Ionization: ESI
Ionization mode: POSITIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks:
Replicated queried mass peaks: 80.396629, 80.646858, 122.274773, 123.043831, 133.064133, 149.023209, 153.017914, 163.038757, 170.021103, 199.074921, 215.069824, 243.06572, 252.604919, 253.049515, 257.080627, 261.869904, 269.044586, 269.860046, 270.052307, 270.247955, 271.055664, 284.543274, 284.728546, 284.866699, 285.075531, 285.285645, 285.606903, 285.869934, 286.078552,
Processing time: 0:00:06.201740

Results for the quried mass "269.563995"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C15O5	0.335	9	0	C2,C3,C4,C5,C6,C7,C8,C9,C10,C11,C12,C13,C14,C15,C16,O17,O18,O19,O20,O21
C16O4	0.292	13	1	C1,C2,C3,C4,C5,C6,C7,C8,C9,C10,C11,C12,C13,C14,C15,C16,O17,O18,O20,O21
C16O4	0.292	13	1	C1,C2,C3,C4,C5,C6,C7,C8,C9,C10,C11,C12,C13,C14,C15,C16,O17,O18,O19,O20