MassBank Record: MSBNK-Keio_Univ-KO002935
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
//
system version 2.2.6-SNAPSHOT