MassBank Record: MSBNK-Keio_Univ-KO002937
ACCESSION: MSBNK-Keio_Univ-KO002937
RECORD_TITLE: Glycine; LC-ESI-QQ; MS2; CE:40 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 76
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0ula-9110000000-43ada06fe1b56b4e9fcc
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
11.000 74257.5 394
18.600 34653.5 184
23.500 69307.0 368
24.600 44554.5 237
30.100 54455.5 289
44.200 34653.5 184
51.700 188119.0 999
58.700 29703.0 158
67.000 39604.0 210
81.700 59406.0 315
96.600 14851.5 79
99.300 128713.0 684
105.300 19802.0 105
119.500 19802.0 105
148.600 19802.0 105
159.600 34653.5 184
217.500 19802.0 105
245.800 34653.5 184
287.500 94059.5 500
//
system version 2.2.6-SNAPSHOT