MassBank Record: MSBNK-Keio_Univ-KO000927
ACCESSION: MSBNK-Keio_Univ-KO000927
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$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 187
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-00di-9000000000-9271b05afa978548360d
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
42.000 242574.5 260
44.000 163366.5 175
44.900 39604.0 43
66.300 89109.0 96
73.200 930694.0 999
82.400 89109.0 96
84.100 9901.0 11
130.000 108911.0 117
//
system version 2.2.8-SNAPSHOT