Metoclopramide; LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+

Computational Annotation of MS Peaks (CAMP)

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Submission id: EA278106

Outputs for Metoclopramide; LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+

Database: Department of Environmental Chemistry, Eawag
Entry ID: EA278106
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: 92.0495, 128.0261, 148.0632, 156.021, 168.9925, 170.0, 182.0241, 183.032, 212.0346,
Processing time: 0:00:03.351733

Results for the quried mass "181.017"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C8N1O2Cl1	0.449	3	0	C3,C8,C9,C10,C11,C12,C13,C14,Cl15,N16,O19,O20