MassBank Record: NGA03154



 11-Deoxy-PGE1.; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+Na]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: NGA03154
RECORD_TITLE: 11-Deoxy-PGE1.; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+Na]+
DATE: 2018.04.04
AUTHORS: Nogawa TCSRS, RIKEN, Okano ACSRS, RIKEN, CSRS, RIKEN
LICENSE: BY-CC
COMMENT: Origin: Plant
COMMENT: SubCategory_DNP: Lipids, Prostaglandins

CH$NAME: 11-Deoxy-PGE1. CH$COMPOUND_CLASS: Aliphatic natural products CH$FORMULA: C20H34O4 CH$EXACT_MASS: 338.49158 CH$SMILES: CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)O CH$IUPAC: InChI=1S/C20H34O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12,14,16-18,21H,2-11,13,15H2,1H3,(H,23,24)/b14-12+/t16-,17-,18+/m0/s1 CH$LINK: CAS 37786-00-8 CH$LINK: PUBCHEM CID:4446182 18498629 CH$LINK: INCHIKEY DPNOTBLPQOITGU-LDDQNKHRSA-N
AC$INSTRUMENT: Agilent 6410 Triple Quadrupole LC/MS system AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: PRECURSOR_TYPE [M+Na]+
PK$SPLASH: splash10-03di-0009000000-52e738830f892f9f9acc PK$NUM_PEAK: 15 PK$PEAK: m/z int. rel.int. 360.4 1.16 1 360.5 3.79 3 360.6 8.45 8 360.7 15.56 15 360.8 26.25 26 360.9 41.48 41 361.0 60.57 60 361.1 80.14 80 361.2 94.97 94 361.3 100.0 99 361.4 91.62 91 361.5 69.37 69 361.6 39.04 39 361.7 12.12 12 361.8 0.0 0 //