MassBank Record: MSBNK-Keio_Univ-KO003024
ACCESSION: MSBNK-Keio_Univ-KO003024
RECORD_TITLE: Gly-Leu; 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 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 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 189
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000i-0900000000-727fca50027e24ece915
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
45.900 188119.0 2
86.200 1257427.0 10
111.100 44554.5 1
116.800 19802.0 1
124.700 49505.0 1
125.800 49505.0 1
128.600 148515.0 1
130.100 9901.0 1
132.100 14163380.5 114
138.900 39604.0 1
143.300 27232700.5 219
144.200 3762380.0 30
153.800 34653.5 1
157.100 366337.0 3
158.300 69307.0 1
171.200 8306939.0 67
172.300 712872.0 6
189.200 124356560.0 999
207.100 242574.5 2
405.300 29703.0 1
//
system version 2.2.6-SNAPSHOT