MassBank Record: MSBNK-Keio_Univ-KO003028
ACCESSION: MSBNK-Keio_Univ-KO003028
RECORD_TITLE: Gly-Leu; LC-ESI-QQ; MS2; CE:50 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 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 189
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000f-9100000000-80e6aa76caa05e8f6b7d
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
30.300 69307.0 76
41.000 128713.0 141
43.200 623763.0 684
44.100 816832.5 896
55.500 34653.5 38
69.000 113861.5 125
72.100 29703.0 33
79.800 24752.5 27
84.400 54455.5 60
86.200 910892.0 999
112.200 178218.0 195
113.200 267327.0 293
//
system version 2.2.6-SNAPSHOT