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MassBank Record: PB006104

Phenylglycine; LC-ESI-QTOF; MS2; CE:15 eV; [M+H]+

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

ACCESSION: PB006104
RECORD_TITLE: Phenylglycine; LC-ESI-QTOF; MS2; CE:15 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$MASS_SPECTROMETRY: COLLISION_ENERGY 15 eV
AC$MASS_SPECTROMETRY: IONIZATION ESI

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-000i-0900000000-c3f64210f913886692d3
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  107.046 140.140 13
  108.058 10.010 0
  135.043 10000.000 999
  136.046 820.821 81
  152.066 10.010 0
//

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