MassBank Record: JP000256



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

ACCESSION: JP000256
RECORD_TITLE: N-ACETYL-GLYCYL-VALYL-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$NAME: N-ACETYL-GLYCYL-VALYL-GLYCINE METHYL ESTER CH$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$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: FD-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-001i-9040000000-8e6cf5b8539869c75e3b PK$NUM_PEAK: 17 PK$PEAK: m/z int. rel.int. 61 4.35 44 81 22.73 227 82 4.7 47 83 99.99 999 169 4 40 171 7.05 71 172 2.78 28 236 2.87 29 256 2 20 270 6.53 65 274 1.13 11 286 7.05 71 287 11.23 112 288 28.83 288 290 3.04 30 574 6.18 62 575 7.83 78 //