MassBank Record: JP000300



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

ACCESSION: JP000300
RECORD_TITLE: N-ACETYL-GLYCYL-ALANYL-ALANINE METHYL ESTER; 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$NAME: N-ACETYL-GLYCYL-ALANYL-ALANINE METHYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H19N3O5 CH$EXACT_MASS: 273.13247 CH$SMILES: COC(=O)C([H])(C)NC(=O)C([H])(C)NC(=O)CNC(C)=O CH$IUPAC: InChI=1S/C11H19N3O5/c1-6(13-9(16)5-12-8(3)15)10(17)14-7(2)11(18)19-4/h6-7H,5H2,1-4H3,(H,12,15)(H,13,16)(H,14,17)/t6-,7+/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$SPLASH: splash10-0006-9100000000-e3fc2a97fe6112f1edf4 PK$NUM_PEAK: 35 PK$PEAK: m/z int. rel.int. 15 5.4 54 27 1.6 16 28 7.7 77 29 0.11 1 30 22.3 223 31 1.6 16 32 2 20 41 0.11 1 42 4.3 43 43 11 110 44 99.99 999 45 0.39 4 55 1.4 14 56 1.7 17 57 3.7 37 59 0.14 1 60 1.2 12 70 3.9 39 71 1 10 72 0.94 9 73 4.6 46 85 2.8 28 99 1.2 12 100 0.9 9 101 1 10 102 1.7 17 104 1.6 16 113 0.14 1 141 4.5 45 143 9 90 144 13 130 145 0.11 1 171 4.4 44 201 1.4 14 214 2.8 28 //