Phosphonoacetate; LC-ESI-QQ; MS2; CE:50 V; [M+H]+

Computational Annotation of MS Peaks (CAMP)

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Submission id: KO003847

Outputs for Phosphonoacetate; LC-ESI-QQ; MS2; CE:50 V; [M+H]+

Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO003847
Synonyms: Phosphonoacetate, Phosphonoacetic acid
Total mass: 140.0317
Formula: P1 C2 O5 H5

Experimental information

MS type: MS2
Instrument: API3000, Applied Biosystems
Instrument type: LC-ESI-QQ
Ionization mode: POSITIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks:
Replicated queried mass peaks: 53.1, 79.3, 81.1, 81.4,
Processing time: 0:00:01.105705

Results for the quried mass "44.6"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C1O2	0.417	1	0	C2,O3,O4
P1C1	0.400	2	0	C1,P8
C2O1	0.460	5	2	C1,C2,O4