MassBank Record: MSBNK-Keio_Univ-KO000925
ACCESSION: MSBNK-Keio_Univ-KO000925
RECORD_TITLE: Gly-Leu; 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 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 187
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-001i-3900000000-8b68a3411c22d0adc0b4
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
42.200 59406.0 2
44.200 94059.5 4
55.400 34653.5 1
56.500 113861.5 4
58.000 99010.0 4
72.900 10361396.5 390
82.200 618812.5 23
83.000 202970.5 8
84.300 198020.0 7
85.900 118812.0 4
86.900 19802.0 1
92.400 44554.5 2
96.600 44554.5 2
114.200 584159.0 22
124.800 44554.5 2
125.900 103960.5 4
130.000 26529729.5 999
138.900 103960.5 4
141.000 945545.5 36
143.400 4965351.5 187
150.800 84158.5 3
168.900 39604.0 1
187.000 326733.0 12
//
system version 2.2.6-SNAPSHOT