MassBank Record: MSBNK-Keio_Univ-KO002934
ACCESSION: MSBNK-Keio_Univ-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
//
system version 2.2.6-SNAPSHOT