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
//