MassBank Record: MSBNK-Keio_Univ-KO002936
ACCESSION: MSBNK-Keio_Univ-KO002936
RECORD_TITLE: Glycine; LC-ESI-QQ; MS2; CE:30 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 76
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-07y0-9220000000-8c7785f1f3aa8052679f
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
11.900 123762.5 568
17.600 84158.5 386
29.300 113861.5 522
29.700 84158.5 386
36.200 24752.5 114
52.200 34653.5 159
58.600 153465.5 704
61.900 59406.0 272
79.900 29703.0 136
85.200 44554.5 204
89.300 19802.0 91
99.200 59406.0 272
117.100 74257.5 341
118.500 69307.0 318
143.900 49505.0 227
188.600 39604.0 182
195.900 19802.0 91
287.600 217822.0 999
295.300 29703.0 136
//
system version 2.2.6-SNAPSHOT