MassBank Record: CA000130



 Methyl-9-hydroperoxy-delta10E,12E-octadecadienoic acid; FAB-EBEB; MS2; m/z: 311.22; [M-CH3]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: CA000130
RECORD_TITLE: Methyl-9-hydroperoxy-delta10E,12E-octadecadienoic acid; FAB-EBEB; MS2; m/z: 311.22; [M-CH3]-
DATE: 2016.01.19 (Created 2007.10.06, modified 2011.05.06)
AUTHORS: Akimoto N, Graduate School of Pharmaceutical Sciences, Kyoto University and Maoka T, Research Institute for Production Development
LICENSE: CC BY-SA

CH$NAME: Methyl-9-hydroperoxy-delta10E,12E-octadecadienoate CH$NAME: LOOH-4 CH$NAME: Methyl-9-hydroperoxy-delta10E,12E-octadecadienoic acid CH$COMPOUND_CLASS: Natural Product; Lipid CH$FORMULA: C19H34O4 CH$EXACT_MASS: 326.24571 CH$SMILES: CCCCCC=CC=CC(OO)CCCCCCCC(=O)OC CH$IUPAC: InChI=1S/C19H34O4/c1-3-4-5-6-7-9-12-15-18(23-21)16-13-10-8-11-14-17-19(20)22-2/h7,9,12,15,18,21H,3-6,8,10-11,13-14,16-17H2,1-2H3/b9-7+,15-12+ CH$LINK: CHEMSPIDER 21781950
AC$INSTRUMENT: JMS-HX/HX 110A, JEOL AC$INSTRUMENT_TYPE: FAB-EBEB AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: ATOM_GUN_CURRENT 5 mA AC$MASS_SPECTROMETRY: BOMBARDMENT 6 kV xenon AC$MASS_SPECTROMETRY: COLLISION_ENERGY 3 kV AC$MASS_SPECTROMETRY: COLLISION_GAS Ar AC$MASS_SPECTROMETRY: GAS_PRESSURE adjust to attenuate the intensity of the precursor ion by 30 % AC$MASS_SPECTROMETRY: IONIZATION FAB AC$MASS_SPECTROMETRY: MATRIX NBA AC$MASS_SPECTROMETRY: PROBE_TIP stainless-steel
MS$FOCUSED_ION: BASE_PEAK 311.2780 MS$FOCUSED_ION: PRECURSOR_M/Z 311.22 MS$FOCUSED_ION: PRECURSOR_TYPE [M-CH3]-
PK$SPLASH: splash10-03dl-0069000000-590d8b147d45f7d2e514 PK$NUM_PEAK: 13 PK$PEAK: m/z int. rel.int. 57.8943 0.68 7 70.8987 0.65 6 127.0665 0.62 6 141.0490 0.66 7 171.0707 1.73 17 221.1588 0.94 9 237.2238 1.63 16 251.1239 0.72 7 265.1797 0.50 5 277.2115 3.94 39 279.1903 0.86 9 293.2077 58.94 589 311.2780 99.97 999 //