MassBank Record: JP001489



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

ACCESSION: JP001489
RECORD_TITLE: N-ACETYL-GLYCYL-ISOLEUCYL-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$NAME: N-ACETYL-GLYCYL-ISOLEUCYL-ISOLEUCYL-GLYCINE METHYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C19H34N4O6 CH$EXACT_MASS: 414.24783 CH$SMILES: COC(=O)CNC(=O)C([H])(NC(=O)C([H])(NC(=O)CNC(C)=O)C([H])(C)CC)C([H])(C)CC CH$IUPAC: InChI=1S/C19H34N4O6/c1-7-11(3)16(18(27)21-10-15(26)29-6)23-19(28)17(12(4)8-2)22-14(25)9-20-13(5)24/h11-12,16-17H,7-10H2,1-6H3,(H,20,24)(H,21,27)(H,22,25)(H,23,28)/t11-,12-,16-,17-/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: splash10-014j-0240900010-d019962008c4ce3fdd35 PK$NUM_PEAK: 34 PK$PEAK: m/z int. rel.int. 69 2.11 21 72 5.99 60 85 3.47 35 185 25.19 252 186 4.68 47 199 16.93 169 200 2.15 22 229 14.15 142 230 9.39 94 298 52.31 523 299 7.93 79 368 1.64 16 397 2.04 20 411 1.94 19 414 22.61 226 415 99.99 999 416 19.55 196 417 4.52 45 429 2.71 27 437 7.02 70 528 7.08 71 562 1.89 19 720 1.71 17 777 2.44 24 778 1.34 13 793 3.06 31 795 1.66 17 828 3.04 30 829 9.96 100 830 1.66 17 849 2.08 21 850 2.03 20 851 3.04 30 852 1.12 11 //