MassBank Record: PB005789



 IAA-Val , Indole-3-acetyl-L-valine; LC-ESI-QTOF; MS2; CE:15 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB005789
RECORD_TITLE: IAA-Val , Indole-3-acetyl-L-valine; LC-ESI-QTOF; MS2; CE:15 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 15 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-001i-0910000000-430fa83cd3f33d4b2c0f PK$NUM_PEAK: 12 PK$PEAK: m/z int. rel.int. 118.086 30.030 2 128.048 40.040 3 130.064 10000.000 999 131.066 680.681 67 132.071 10.010 0 146.058 30.030 2 158.059 60.060 5 229.131 1801.802 179 230.134 200.200 19 257.125 10.010 0 275.137 60.060 5 276.138 10.010 0 //