Biochanin_A; LC-ESI-ITFT; MS2; CE 70 eV; [M+H]+

Computational Annotation of MS Peaks (CAMP)

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Atom-Mass pairs

Submission id: CE000049

Outputs for Biochanin_A; LC-ESI-ITFT; MS2; CE 70 eV; [M+H]+

Database: MPI for Chemical Ecology, Jena, Germany
Entry ID: CE000049
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: 83.340561, 89.16925, 111.947456, 123.043846, 131.048553, 135.043747, 140.703461, 149.023239, 152.010193, 153.018021, 163.039108, 167.033829, 169.064331, 170.021317, 185.059921, 192.041519, 199.074875, 211.075348, 214.061539, 215.070374, 226.05896, 230.089478, 239.070389, 243.065475, 252.873764, 253.049515, 253.490326, 254.053329, 257.080658, 269.044525, 269.858154, 270.052185, 270.540833, 271.055115, 286.07901,
Processing time: 0:00:05.691498

Results for the quried mass "165.018906"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C11O2	0.105	1	0	C1,C2,C3,C4,C5,C8,C9,C11,C12,C15,C16,O19,O20