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MassBank Record: KO000829

Glycine; LC-ESI-QQ; MS2; CE:10 V; [M-H]-

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

ACCESSION: KO000829
RECORD_TITLE: Glycine; LC-ESI-QQ; MS2; CE:10 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID G011

CH$NAME: Gly
CH$NAME: Aminoacetic acid
CH$NAME: Glycine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C2H5NO2
CH$EXACT_MASS: 75.03203
CH$SMILES: NCC(O)=O
CH$IUPAC: InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)
CH$LINK: CAS 56-40-6
CH$LINK: CHEBI 15428
CH$LINK: CHEMPDB GLY
CH$LINK: KEGG C00037
CH$LINK: NIKKAJI J1.163K
CH$LINK: PUBCHEM SID:3339
CH$LINK: INCHIKEY DHMQDGOQFOQNFH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9020667

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 74
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-00di-9000000000-6001578fc511ba3fefef
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
  74.000 17910909.0 999
//

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