MassBank Record: JP001567



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

ACCESSION: JP001567
RECORD_TITLE: N-ACETYL-GLYCYL-ALANYL-ALANYL-GLYCINE METHYL ESTER; 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$NAME: N-ACETYL-GLYCYL-ALANYL-ALANYL-GLYCINE METHYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C13H22N4O6 CH$EXACT_MASS: 330.15393 CH$SMILES: COC(=O)CNC(=O)C([H])(C)NC(=O)C([H])(C)NC(=O)CNC(C)=O CH$IUPAC: InChI=1S/C13H22N4O6/c1-7(12(21)15-6-11(20)23-4)17-13(22)8(2)16-10(19)5-14-9(3)18/h7-8H,5-6H2,1-4H3,(H,14,18)(H,15,21)(H,16,19)(H,17,22)/t7-,8+/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$SPLASH: splash10-0006-9310000000-c2e688162c0e6018d43f PK$NUM_PEAK: 72 PK$PEAK: m/z int. rel.int. 14 2.39 24 15 11.83 118 26 5.56 56 27 6.21 62 28 18.27 183 29 4.41 44 30 66.08 661 31 3.69 37 38 1.01 10 39 1.86 19 41 6.34 63 42 11.54 115 43 30.39 304 44 99.99 999 45 9.67 97 54 1.9 19 55 11.6 116 56 8.79 88 58 2.55 26 59 2.09 21 60 2.25 23 67 1.11 11 69 2.48 25 70 7.97 80 71 5.42 54 72 21.05 211 73 8.59 86 74 1.27 13 81 1.08 11 83 1.8 18 84 1.67 17 85 7.03 70 86 2.03 20 87 1.14 11 88 3.37 34 89 1.08 11 90 9.61 96 91 1.21 12 97 1.31 13 98 1.41 14 99 8.01 80 100 21.8 218 101 2.97 30 111 1.01 10 113 2.78 28 114 1.44 14 115 1.63 16 116 1.8 18 117 1.31 13 120 1.11 11 127 5.69 57 128 1.31 13 129 1.54 15 141 4.64 46 142 2.03 20 143 14.77 148 144 16.14 161 145 7.35 74 149 1.31 13 155 1.47 15 169 1.6 16 171 49.02 490 172 5.23 52 187 1.31 13 214 57.81 578 215 11.47 115 216 1.96 20 242 5.69 57 258 1.44 14 299 2.16 22 330 3.69 37 331 1.08 11 //