Spectrum PS062610 for gamma,gamma-Dimethyallyl pyrophosphate ammonium salt

Rating: (*)★(*)★(*)★( )☆( )☆

Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
246.005
C5H12O7P2
246.00582598399998
O=P(O)(O)OP(=O)(O)OCC=C(C)C
InChI=1S/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h3H,4H2,1-2H3,(H,9,10)(H2,6,7,8)
CBIDRCWHNCKSTO-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
PS062610
Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN
Copyright(C) 2008 Plant Science Center, RIKEN
Sawada et al Widely targeted metabolomics based on large-scale MS/MS data for elucidating metabolite accumulation patterns in plants. Plant Cell Physiol(2009) 50:37-47:doi:10.1093/pcp/pcn183
TQD, Waters
Flow-injection QqQ/MS
ESI
Q
Q
LOW-ENERGY CID
40
Q
CENTROID
[M-H]-
MS2
negative
0.5862203653837332
0.8457372140072281
245.19
[M-H]-
780.8231004527288 ppm
0.19145001600000455 Da