MassBank Record: JP000104



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

ACCESSION: JP000104
RECORD_TITLE: N-ACETYL-VALYL-ALANYL-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$NAME: N-ACETYL-VALYL-ALANYL-GLYCINE METHYLESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C13H23N3O5 CH$EXACT_MASS: 301.16377 CH$SMILES: COC(=O)CNC(=O)C([H])(C)NC(=O)C([H])(NC(C)=O)C(C)C CH$IUPAC: InChI=1S/C13H23N3O5/c1-7(2)11(16-9(4)17)13(20)15-8(3)12(19)14-6-10(18)21-5/h7-8,11H,6H2,1-5H3,(H,14,19)(H,15,20)(H,16,17)/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$SPLASH: splash10-0006-9400000000-448db66fca56f7db57e2 PK$NUM_PEAK: 55 PK$PEAK: m/z int. rel.int. 15 9.7 97 27 5.1 51 28 12.6 126 29 0.53 5 30 17.8 178 31 1.2 12 39 2.5 25 41 0.58 6 42 6 60 43 25.2 252 44 99.99 999 45 0.39 4 53 1 10 54 1.3 13 55 18.3 183 56 0.98 10 57 6.2 62 58 6.6 66 59 1.8 18 60 0.38 4 69 2.8 28 70 6.3 63 71 3.3 33 72 9.08 91 73 6.3 63 74 1.2 12 83 1.8 18 84 0.14 1 85 1.3 13 88 3.4 34 90 3.9 39 98 0.13 1 99 4.8 48 100 7.6 76 112 1.5 15 113 0.26 3 114 56.5 565 115 19.4 194 116 2.2 22 126 0.11 1 127 3.5 35 142 24.3 243 143 2.6 26 145 0.35 4 161 1.4 14 170 1.2 12 171 2.3 23 185 1.57 16 186 5.3 53 187 1.8 18 199 2.3 23 214 0.4 4 270 1.2 12 301 1.8 18 302 1.3 13 //