MassBank Record: JP000117



 N-ACETYL-GLYCYL-VALYL-GLYCINE METHYLESTER; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000117
RECORD_TITLE: N-ACETYL-GLYCYL-VALYL-GLYCINE METHYLESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: N-ACETYL-GLYCYL-VALYL-GLYCINE METHYLESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H21N3O5 CH$EXACT_MASS: 287.14812 CH$SMILES: COC(=O)CNC(=O)C([H])(C(C)C)NC(=O)CNC(C)=O CH$IUPAC: InChI=1S/C12H21N3O5/c1-7(2)11(12(19)14-6-10(18)20-4)15-9(17)5-13-8(3)16/h7,11H,5-6H2,1-4H3,(H,13,16)(H,14,19)(H,15,17)/t11-/m1/s1
AC$INSTRUMENT: HITACHI RMU-6M AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00di-9000000000-6b54a061019a97ae30ca PK$NUM_PEAK: 37 PK$PEAK: m/z int. rel.int. 15 4.1 41 27 2 20 28 6.4 64 29 0.3 3 30 42.2 422 31 2.2 22 39 1.6 16 41 0.38 4 43 16.7 167 44 2.7 27 45 2 20 55 1 10 56 6.6 66 57 2.2 22 58 1.3 13 59 0.14 1 69 3.1 31 70 2.7 27 72 99.99 999 73 0.88 9 82 1.1 11 83 1.8 18 84 1.2 12 85 0.26 3 88 2.6 26 90 3.5 35 98 2.8 28 100 0.82 8 113 1.4 14 114 1.1 11 127 1.6 16 145 0.13 1 155 2.3 23 171 8.3 83 172 1.9 19 199 0.28 3 215 1 10 //