ACCESSION: MSBNK-Keio_Univ-KO002935
RECORD_TITLE: Glycine; LC-ESI-QQ; MS2; CE:20 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 20 V

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

PK$SPLASH: splash10-0ar1-9010000000-9daadc1d169a8530926d
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  12.600 34653.5 143
  18.400 148515.0 612
  23.000 143564.5 591
  29.800 198020.0 816
  30.600 44554.5 183
  32.300 103960.5 428
  33.500 34653.5 143
  47.600 183168.5 754
  51.200 89109.0 367
  59.300 242574.5 999
  75.800 59406.0 245
  132.200 29703.0 122
  142.600 24752.5 102
  168.500 34653.5 143
  169.600 9901.0 41
  198.400 24752.5 102
  203.100 14851.5 61
  205.200 49505.0 204
  242.900 89109.0 367
  300.300 39604.0 163
//