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MassBank Record: KO002934

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: KO002934
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 POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V

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

PK$SPLASH: splash10-004i-9000000000-342ab462db0835abb3d2
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  11.000 54455.5 8
  12.900 29703.0 4
  15.100 79208.0 11
  17.400 24752.5 4
  18.700 89109.0 13
  23.300 14851.5 2
  29.200 39604.0 6
  30.700 64356.5 9
  31.900 262376.5 38
  41.100 59406.0 9
  43.800 89109.0 13
  47.200 39604.0 6
  48.100 118812.0 17
  49.600 79208.0 11
  51.300 29703.0 4
  54.200 89109.0 13
  54.800 34653.5 5
  59.100 143564.5 21
  76.000 6975254.5 999
  120.600 24752.5 4
  122.800 34653.5 5
  144.000 24752.5 4
  214.100 9901.0 1
  336.100 14851.5 2
//

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