MassBank Record: JP000118



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

ACCESSION: JP000118
RECORD_TITLE: N-ACETYL-ALANYL-VALYL-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$NAME: N-ACETYL-ALANYL-VALYL-GLYCINE METHYLESTER CH$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
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$SPLASH: splash10-00di-9000000000-b67fdcb025e281918a93 PK$NUM_PEAK: 35 PK$PEAK: m/z int. rel.int. 27 1.8 18 28 3.7 37 29 2 20 30 0.71 7 39 1.2 12 41 3.1 31 42 2.9 29 43 0.99 10 44 47.3 473 45 1.6 16 55 7.4 74 56 0.43 4 57 2.2 22 69 2.6 26 70 1.7 17 71 0.21 2 72 99.99 999 73 5.6 56 82 1 10 83 0.16 2 84 1.2 12 85 1.3 13 86 12 120 87 1.24 12 88 1.9 19 90 2.6 26 114 8 80 127 0.19 2 155 1.8 18 159 2.4 24 173 1.7 17 185 0.9 9 186 1.8 18 213 2.5 25 215 1.8 18 //