MassBank Record: MSBNK-IPB_Halle-PB006103

Phenylglycine; LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+

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ACCESSION: MSBNK-IPB_Halle-PB006103
RECORD_TITLE: Phenylglycine; LC-ESI-QTOF; MS2; CE:10 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

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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

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AC$INSTRUMENT: micrOTOF-Q
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 eV
AC$MASS_SPECTROMETRY: IONIZATION ESI

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MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

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PK$SPLASH: splash10-000i-0900000000-977fbf01f8ff42a9231c
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  107.047 40.040 3
  135.042 10000.000 999
  136.046 720.721 71
  137.048 10.010 0
  152.069 160.160 15
  153.072 10.010 0
//