MassBank Record: JP001490



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

ACCESSION: JP001490
RECORD_TITLE: N-ACETYL-GLYCYL-PHENYLALANYL-ISOLEUCYL-GLYCINE METHYL ESTER; FD-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$NAME: N-ACETYL-GLYCYL-PHENYLALANYL-ISOLEUCYL-GLYCINE METHYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C22H32N4O6 CH$EXACT_MASS: 448.23218 CH$SMILES: COC(=O)CNC(=O)C([H])(NC(=O)C([H])(NC(=O)CNC(C)=O)Cc(c1)cccc1)C([H])(C)CC CH$IUPAC: InChI=1S/C22H32N4O6/c1-5-14(2)20(22(31)24-13-19(29)32-4)26-21(30)17(11-16-9-7-6-8-10-16)25-18(28)12-23-15(3)27/h6-10,14,17,20H,5,11-13H2,1-4H3,(H,23,27)(H,24,31)(H,25,28)(H,26,30)/t14-,17+,20-/m0/s1
AC$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: FD-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0002-0000900000-3d22d52999aa0ded1395 PK$NUM_PEAK: 9 PK$PEAK: m/z int. rel.int. 332 12.25 123 333 3.46 35 448 99.99 999 449 57.12 571 450 16.18 162 803 2.88 29 919 6.5 65 920 2.97 30 921 3.91 39 //