Metoclopramide; LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+

Computational Annotation of MS Peaks (CAMP)

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Atom-Mass pairs

Submission id: EA278111

Outputs for Metoclopramide; LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+

Database: Department of Environmental Chemistry, Eawag
Entry ID: EA278111
Synonyms: Metoclopramide, 4-amino-5-chloro-N-(2-diethylaminoethyl)-2-methoxy-benzamide
Total mass: 299.7955
Formula: H22 C14 N3 O2 Cl1

Experimental information

MS type: MS2
Instrument: LTQ Orbitrap XL Thermo Scientific
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: 128.0263, 148.0632, 168.9921, 184.0161, 212.0347,
Processing time: 0:00:02.958212

Results for the quried mass "211.0273"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C10N2O1Cl1	0.368	11	0	C1,C2,C4,C5,C6,C7,C8,C10,C11,C14,Cl15,N17,N18,O19
C9N2O2Cl1	0.410	7	0	C3,C6,C8,C9,C10,C11,C12,C13,C14,Cl15,N16,N17,O19,O20
C11N2O2	0.253	19	0	C1,C2,C3,C4,C5,C6,C7,C9,C10,C13,C14,N17,N18,O19,O20
C11N2O2	0.253	19	0	C1,C2,C3,C4,C5,C6,C7,C8,C10,C13,C14,N17,N18,O19,O20
C12N2O2	0.169	7	0	C1,C2,C3,C4,C5,C6,C7,C8,C9,C10,C13,C14,N17,N18,O19,O20