Metabolomics Workbench : NIH Data Repository

MB Sample ID: SA075082

Local Sample ID:	M10D2_47
Subject ID:	SU001146
Subject Type:	Invertebrate
Subject Species:	Metacarcinus magister
Taxonomy ID:	29965

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Subject:

Subject ID:	SU001146
Subject Type:	Invertebrate
Subject Species:	Metacarcinus magister
Taxonomy ID:	29965

Factors:

Local Sample ID	MB Sample ID	Factor Level ID	Level Value	Factor Name
M10D2_47	SA075082	FL011598	High	ph treatment
M10D2_47	SA075082	FL011598	Low	DO treatment
M10D2_47	SA075082	FL011598	31	Treatment Duration (days)

Collection:

Collection ID:	CO001140
Collection Summary:	After each crab completed the treatment for the predetermined length of time, crabs were frozen whole specimen at -80°C and shipped to the West Coast Metabolomics Center.
Sample Type:	Whole Animal

Treatment:

Treatment ID:	TR001160
Treatment Summary:	15 crabs were placed into 1 of 4 treatment groups: High pH:High Dissolved Oxygen, High pH:Low Dissolved Oxygen, Low pH:Low Dissolved Oxygen, Low pH: High Dissolved Oxygen. Crabs were subjected to their treatment group for 30-33 days.

Sample Preparation:

Sampleprep ID:	SP001153
Sampleprep Summary:	15mg of whole crab was placed into a 1.5mL ependorph tube. 2 x 3mm grinding beads were added to each sample. 225 µL of cold MeOH with quality controls was added to each samples. Batches of samples were ground with GenoGrinder for 30 seconds at 1500 rpm. 750µL of methyl tert-butyl Ether (MTBE) was added to each sample. Samples were vortexed for 10 seconds and then shaken at 4°C for 5 minutes using an Orbital Mixer. 188 uL of LC-MS grade water was added to each sample. Vortex for 10 seconds and then centrifuged for 2 minutes at 14,000 rcf. 2 x 350µL aliquots were removed from the top, organic layer, one submitted for analysis and the other stored as backup in -20°C. 2 x 125µL aliquots were removed from the bottom, polar layer, one submitted for analysis, the other stored at -20°C for backup.

Sampleprep ID:

SP001153

Sampleprep Summary:

15mg of whole crab was placed into a 1.5mL ependorph tube. 2 x 3mm grinding beads were added to each sample. 225 µL of cold MeOH with quality controls was added to each samples. Batches of samples were ground with GenoGrinder for 30 seconds at 1500 rpm. 750µL of methyl tert-butyl Ether (MTBE) was added to each sample. Samples were vortexed for 10 seconds and then shaken at 4°C for 5 minutes using an Orbital Mixer. 188 uL of LC-MS grade water was added to each sample. Vortex for 10 seconds and then centrifuged for 2 minutes at 14,000 rcf. 2 x 350µL aliquots were removed from the top, organic layer, one submitted for analysis and the other stored as backup in -20°C. 2 x 125µL aliquots were removed from the bottom, polar layer, one submitted for analysis, the other stored at -20°C for backup.

Combined analysis:

Analysis ID	AN001791	AN001792
Analysis type	MS	MS
Chromatography type	Reversed phase	Reversed phase
Chromatography system	Agilent 1290	Agilent 1290
Column	Waters Acquity CSH C18 (100 x 2.1mm,1.7um)	Waters Acquity CSH C18 (100 x 2.1mm,1.7um)
MS Type	ESI	ESI
MS instrument type	QTOF	QTOF
MS instrument name	Agilent 6530 QTOF	Agilent 6530 QTOF
Ion Mode	POSITIVE	NEGATIVE
Units	Peak Height	Peak Height

Chromatography:

Chromatography ID:	CH001265
Instrument Name:	Agilent 1290
Column Name:	Waters Acquity CSH C18 (100 x 2.1mm,1.7um)
Column Pressure:	500-1000bar
Column Temperature:	65°C
Flow Rate:	600µL/min
Sample Injection:	1.67µL
Chromatography Type:	Reversed phase

MS:

MS ID:	MS001653
Analysis ID:	AN001791
Instrument Name:	Agilent 6530 QTOF
Instrument Type:	QTOF
MS Type:	ESI
Ion Mode:	POSITIVE

MS ID:	MS001654
Analysis ID:	AN001792
Instrument Name:	Agilent 6530 QTOF
Instrument Type:	QTOF
MS Type:	ESI
Ion Mode:	NEGATIVE