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myo-Inositol-1-phosphate (7TMS)

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Replica Mass Spectra of myo-Inositol-1-phosphate (7TMS)

replica	lib entry date	detection	method	species
1	01 November 2001	MS-TOF	M[EIGTMS]	Corynebacterium glutamicum
2	22 January 2005	MS-QUAD	M[ROE]
3	12 May 2005		M[NIST]
4	01 October 2001	MS-TOF	M[EIGTMS]	Saccharomyces cerevisiae
5	11 September 2005		M[FAME4090]	Standard
6	01 May 2001	MS-TOF	M[EIGTMS]	Standard Addition
9	01 November 2001	MS-Quad	M[2]	Standard
10	12 May 2005		M[NIST]
8 spectrum(a)

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Spectrum Details

analyte	myo-Inositol-1-phosphate (7TMS)
analyte InChI	InChI=1S/C27H69O9PSi7/c1-38(2,3)30-23-22(29-37(28,35-43(16,17)18)36-44(19,20)21)24(31-39(4,5)6)26(33-41(10,11)12)27(34-42(13,14)15)25(23)32-40(7,8)9/h22-27H,1-21H3/t22-,23-,24-,25+,26-,27-/m1/s1
analyte mass	765.4
chromatogram	NA(_27)
citation	Barsch A, Patschkowski T, Niehaus K (2004) Funct Integrat Genomics 4, 219-230
authors	Barsch A, Puehse M, Persicke M, Bielefeld University, Department of Molecular Phytopathology (Prof. Niehaus K), D-33501 Bielefeld, Germany
lib entry date	12 October 2005
metabolite role	METB
retention time (sec)	2,452.8
retention index (VAR5 method, n-alkanes C10–C36)	2,414.29 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	318
maximal intensity	999
mass-intensity-peaks cardinality	193 intensities
minimal m/z	53
maximal m/z	547
download JCAMP DX	SpectrumJcampDx.ashx?id=ac07fc98-6132-4e97-98c3-e2bb338548c8
download MSP	SpectrumMsp.ashx?id=ac07fc98-6132-4e97-98c3-e2bb338548c8

GC-Method

name	M[BAR]
citation	Barsch A, Patschkowski T, Niehaus K (2004) Funct Integrat Genomics 4, 219-230

attribute	text	details
deconvolution	AMDIS, National Institute of Standards and Technology, Gaithersburg, MD, USA
derivatization	MEOX; TMS	Methoxyamination:90min37°C; Trimethylsilylation:30min37°C
detector	MS-TRAP	MZ:50-550; SCANS:2/s; PolarisQ; Thermo-Finnigan, Dreieich, Germany
extraction	methanol:water (4:1; v/v); 70°C
ion source	EI	70eV
metabolic inactivation	filtration; liquid nitrogen; lyophilization
partitioning	none
RI	ALKANE	C12, C15, C18, C19, C22, C28, C32, C36
separation	GC	COLUMN:5%diphenyl-95%dimethylpolysiloxane, 30m, ID:0.25mm, DF:0.25microm, EQUITY-5, #NA (Supelco, Bellfonte, CA, USA); PROGRAM:iso3min80°C, ramp3°C/min, iso1min300°C; FLOW:Helium, 0.6ml/min; INJECTION:1microL, splitless, 250°C; TRANSFER:250°C; IONSOURCE:200°C

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