Thiamine monophosphate; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-2H]-

Computational Annotation of MS Peaks (CAMP)

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Submission id: PR100609

Outputs for Thiamine monophosphate; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-2H]-

Database: Plant Science Center, RIKEN
Entry ID: PR100609
Synonyms: Thiamine monophosphate, TMP, Thiamine-P, Vitamin B1 phosphate, Monophosphothiamine, Aneurine monophosphate
Total mass: 345.3338
Formula: C12 H18 O4 N4 P1 S1

Experimental information

MS type: MS2
Instrument: UPLC Q-Tof Premier, Waters
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:
Processing time: 0:00:03.039637

Results for the quried mass "343.063"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C12O4N4P1S1	0.255	16	0	C1,C2,C3,C4,C5,C6,C7,C8,C9,C10,C11,C12,N13,N14,N15,N16,O17,O18,O19,O20,P21,S22