MassBank Record: PB000553



 Indole-3-acetyl-L-valine; LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB000553
RECORD_TITLE: Indole-3-acetyl-L-valine; LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+
DATE: 2016.01.19 (Created 2008.01.02, modified 2013.06.04)
AUTHORS: Boettcher C, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 285
COMMENT: CONFIDENCE: confident structure

CH$NAME: Indole-3-acetyl-L-valine CH$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: API QSTAR Pulsar i AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-001i-3900000000-2dcdac483e04b6e4aa9b PK$NUM_PEAK: 6 PK$PEAK: m/z int. rel.int. 55.055 146.109 13 72.081 3836.222 382 118.087 50.968 4 130.064 10000.000 999 130.129 61.162 5 131.067 112.130 10 //