MassBank Record: PB005790



 IAA-Val , Indole-3-acetyl-L-valine; LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB005790
RECORD_TITLE: IAA-Val , Indole-3-acetyl-L-valine; LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
DATE: 2016.01.19 (Created 2009.02.19, modified 2013.06.04)
AUTHORS: Heinz T, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 2321
COMMENT: CONFIDENCE: confident structure

CH$NAME: IAA-Val , Indole-3-acetyl-L-valine CH$NAME: (2S)-2-[[2-(1H-indol-3-yl)acetyl]amino]-3-methylbutanoic acid CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C15H18N2O3 CH$EXACT_MASS: 274.13174 CH$SMILES: CC(C)C(C(=O)O)NC(=O)CC1=CNC2=CC=CC=C21 CH$IUPAC: InChI=1S/C15H18N2O3/c1-9(2)14(15(19)20)17-13(18)7-10-8-16-12-6-4-3-5-11(10)12/h3-6,8-9,14,16H,7H2,1-2H3,(H,17,18)(H,19,20)/t14-/m0/s1 CH$LINK: INCHIKEY AZEGJHGXTSUPPG-AWEZNQCLSA-N CH$LINK: PUBCHEM CID:446641
AC$INSTRUMENT: micrOTOF-Q AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-001i-0900000000-5cbd681eda982cd45b27 PK$NUM_PEAK: 9 PK$PEAK: m/z int. rel.int. 128.048 90.090 8 129.056 10.010 0 130.064 10000.000 999 131.067 640.641 63 146.058 30.030 2 158.059 30.030 2 229.132 100.100 9 230.135 10.010 0 234.947 10.010 0 //