Spectrum PR020129 for Indole-3-acetyl-L-alanine

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Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

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Compound Metadata

NameValue
InChI=1S/C13H14N2O3/c1-8(13(17)18)15-12(16)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7-8,14H,6H2,1H3,(H,15,16)(H,17,18)
FBDCJLXTUCMFLF-UHFFFAOYSA-N
C13H14N2O3
246.10044230799997
O=C(O)C(N=C(O)CC1=CNC=2C=CC=CC21)C

Mass Spectral Metadata

NameValue
PR020129
2016.01.19 (Created 2007.12.03, modified 2011.05.06)
Kojima M, Sakakibara H, Plant Science Center, RIKEN.
CC BY-SA
246.10044
UPLC Waters, Quattro Ultima Pt Micromass
LC-ESI-QQ
MS2
10.0 eV
Centroid
565 L/Hr
400 C
LOW-ENERGY CID
ESI
0.2 sec/scan (m/z=50-500)
140 C
3.1 kV
ACQUITY UPLC BEH C18 2.1 by 50 mm (Waters, Milford, MA, USA)
40 C
0.1/99.9 at 0 min, 9.0/91.0 at 2 min, 12.5/87.5 at 7 min, 30/70 at 10 min, 50/50 at 12 min, 50/50 at 13 min, 99.9/0.1 at 15 min
0.25 ml/min
7.49 min
53 V
CH3CN(0.05% HCOOH) / HCOOH(0.05% CH3CN)
246
MassLynx 4.0
positive
1.6238579116244003
0.6534884969473359
247
[M+H]+
438.916226720526 ppm
-0.10841230799996993 Da