MassBank Record: JP000115



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

ACCESSION: JP000115
RECORD_TITLE: N-ACETYL-ALANYL-LEUCYL-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$NAME: N-ACETYL-ALANYL-LEUCYL-GLYCINE METHYLESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C14H25N3O5 CH$EXACT_MASS: 315.17942 CH$SMILES: COC(=O)CNC(=O)C([H])(CC(C)C)NC(=O)C([H])(C)NC(C)=O CH$IUPAC: InChI=1S/C14H25N3O5/c1-8(2)6-11(14(21)15-7-12(19)22-5)17-13(20)9(3)16-10(4)18/h8-9,11H,6-7H2,1-5H3,(H,15,21)(H,16,18)(H,17,20)/t9-,11+/m0/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$SPLASH: splash10-000l-9000000000-17936ed2b2446c14b285 PK$NUM_PEAK: 41 PK$PEAK: m/z int. rel.int. 15 3 30 27 3 30 28 4.9 49 30 1.42 14 39 1.9 19 41 6.4 64 42 5.2 52 43 1.54 15 44 61.4 614 45 3 30 53 1.5 15 54 0.15 2 55 5.6 56 56 9.4 94 57 1.9 19 59 0.15 2 61 1.5 15 67 1.5 15 68 1.5 15 69 0.29 3 70 4.9 49 83 1.1 11 84 2.6 26 85 0.22 2 86 99.99 999 87 15.7 157 88 3.4 34 90 0.3 3 98 1.4 14 99 1.6 16 112 2.3 23 114 0.71 7 141 1.9 19 144 5.2 52 169 1.6 16 187 0.14 1 199 5.2 52 200 1.1 11 227 3 30 229 0.19 2 315 1.2 12 //