MassBank Record: MSBNK-Keio_Univ-KO003025
ACCESSION: MSBNK-Keio_Univ-KO003025
RECORD_TITLE: Gly-Leu; 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 G071
CH$NAME: Gly-Leu
CH$NAME: Glycyl-L-leucine
CH$NAME: Glycyl-leucine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H16N2O3
CH$EXACT_MASS: 188.11609
CH$SMILES: NCC(=O)N[C@@H](CC(C)C)C(O)=O
CH$IUPAC: InChI=1S/C8H16N2O3/c1-5(2)3-6(8(12)13)10-7(11)4-9/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t6-/m0/s1
CH$LINK: CAS
869-19-2
CH$LINK: KEGG
C02155
CH$LINK: NIKKAJI
J150.139I
CH$LINK: PUBCHEM
SID:5232
CH$LINK: INCHIKEY
DKEXFJVMVGETOO-LURJTMIESA-N
AC$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$FOCUSED_ION: PRECURSOR_M/Z 189
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0019-9800000000-955d0cb4dc730f98f2b6
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
30.200 54455.5 1
45.900 207921.0 4
71.700 19802.0 1
75.100 202970.5 4
81.000 59406.0 1
84.400 133663.5 2
86.200 56896096.5 999
87.400 29703.0 1
95.200 24752.5 1
98.000 39604.0 1
101.500 19802.0 1
113.000 29703.0 1
116.200 54455.5 1
126.000 316832.0 6
128.700 39604.0 1
132.100 31777259.5 558
142.900 17371304.5 305
144.000 2321784.5 41
146.900 14851.5 1
156.900 34653.5 1
171.300 326733.0 6
172.100 198020.0 3
174.100 24752.5 1
189.300 1227724.0 22
//
system version 2.2.6-SNAPSHOT