MassBank MassBank Search Contents Download

MassBank Record: PB006121

Phenylglycine; LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: PB006121
RECORD_TITLE: Phenylglycine; LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
DATE: 2016.01.19 (Created 2009.03.27, modified 2013.06.04)
AUTHORS: Heinz T, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 2761
COMMENT: CONFIDENCE confident structure

CH$NAME: Phenylglycine
CH$NAME: 2-amino-2-phenylacetic acid
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C8H9NO2
CH$EXACT_MASS: 151.06333
CH$SMILES: C1=CC=C(C=C1)C(C(=O)O)N
CH$IUPAC: InChI=1S/C8H9NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H,10,11)
CH$LINK: INCHIKEY ZGUNAGUHMKGQNY-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:3866
CH$LINK: COMPTOX DTXSID70862455

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$SPLASH: splash10-000i-0900000000-04069023db5873b4f33e
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  106.070 100.100 9
  107.046 380.380 37
  116.971 30.030 2
  134.946 110.110 10
  135.042 10000.000 999
  136.047 610.611 60
  170.960 30.030 2
  390.349 20.020 1
  412.169 30.030 2
  536.829 20.020 1
//

Imprint Feedback
system version 2.1.8
Copyright © 2006 MassBank Project; 2011 NORMAN Association; 2021 MassBank Consortium
Responsible: Dr. Tobias Schulze