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MassBank Record: KO002938

Glycine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+

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

ACCESSION: KO002938
RECORD_TITLE: Glycine; LC-ESI-QQ; MS2; CE:50 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 POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V

MS$FOCUSED_ION: PRECURSOR_M/Z 76
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-017i-9000000000-fbd78fbb48f082235f42
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  15.400 163366.5 999
  19.000 19802.0 121
  21.600 74257.5 454
  24.800 19802.0 121
  26.400 34653.5 212
  28.700 74257.5 454
  56.100 49505.0 303
  67.900 24752.5 151
  82.200 49505.0 303
  283.300 24752.5 151
  433.000 29703.0 182
//

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