Predicted GC-MS Spectrum - 2-(1-{[(1-{3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-[2-(1,2-dihydroxypropan-2-yl)phenyl]propyl)sulfanyl]methyl}cyclopropyl)acetic acid GC-MS (Non-derivatized) - 70eV, Positive (HMDB0143567)
Spectrum Details
HMDB ID: | HMDB0143567 |
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Compound Name: | 2-(1-{[(1-{3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-[2-(1,2-dihydroxypropan-2-yl)phenyl]propyl)sulfanyl]methyl}cyclopropyl)acetic acid |
Derivative IUPAC Name: | Not Available |
Derivative SMILES: | Not Available |
Derivative InChIKey: | Not Available |
Spectrum Type: | Predicted GC-MS Spectrum - 2-(1-{[(1-{3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-[2-(1,2-dihydroxypropan-2-yl)phenyl]propyl)sulfanyl]methyl}cyclopropyl)acetic acid GC-MS (Non-derivatized) - 70eV, Positive |
Splash Key: | splash10-004i-6500950000-27d65b1bf8cfe5d60e7f |
Notes: | This is a predicted spectrum, and it should only be used as a guide. Further evidence is required to confirm identification. |
Spectrum View
Experimental Conditions
Ionization Mode: | Positive |
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Ionization Energy: | 70 eV |
Chromatography Type: | Gas Chromatography Column (GC) |
Instrument Type: | Single quadrupole, spectrum predicted by CFM-ID(EI) |
Mass Resolution: | 0.0001 Da |
Molecular Formula: | C35H36ClNO4S |
Molecular Weight (Monoisotopic Mass): | 601.2054 Da |
Notes
Predicted by CFMID-EI, energy0
Documentation
Document Description | Download | File Size |
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List of m/z values for the spectrum (TXT) | Download file | 746 Bytes |
Generated list of m/z values for the spectrum (TXT) | Download file | 746 Bytes |
mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available