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MassBank Record: JP000253

N-ACETYL-ALANYL-VALYL-GLYCINE METHYL ESTER; FD-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: JP000253
RECORD_TITLE: N-ACETYL-ALANYL-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$NAME: N-ACETYL-ALANYL-VALYL-GLYCINE METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H23N3O5
CH$EXACT_MASS: 301.16377
CH$SMILES: COC(=O)CNC(=O)C([H])(C(C)C)NC(=O)C([H])(C)NC(C)=O
CH$IUPAC: InChI=1S/C13H23N3O5/c1-7(2)11(13(20)14-6-10(18)21-5)16-12(19)8(3)15-9(4)17/h7-8,11H,6H2,1-5H3,(H,14,20)(H,15,17)(H,16,19)/t8-,11+/m0/s1
CH$LINK: INCHIKEY UEGJWOSKZCVBFS-GZMMTYOYSA-N

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$SPLASH: splash10-0f79-9426000000-86c73065a9db8beb4458
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
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  603 6.42 64
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