MassBank Record: JP000116



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

ACCESSION: JP000116
RECORD_TITLE: N-ACETYL-GLYCYL-LEUCYL-ALANINE 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$NAME: N-ACETYL-GLYCYL-LEUCYL-ALANINE METHYLESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C14H25N3O5 CH$EXACT_MASS: 315.17942 CH$SMILES: CC(=O)NCC(=O)NC([H])(CC(C)C)C(=O)NC([H])(C)C(=O)OC CH$IUPAC: InChI=1S/C14H25N3O5/c1-8(2)6-11(17-12(19)7-15-10(4)18)13(20)16-9(3)14(21)22-5/h8-9,11H,6-7H2,1-5H3,(H,15,18)(H,16,20)(H,17,19)/t9-,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$SPLASH: splash10-000i-9100000000-c86f38afe7bf4ef5bbe2 PK$NUM_PEAK: 54 PK$PEAK: m/z int. rel.int. 15 2.7 27 27 2.9 29 28 3.1 31 29 0.31 3 30 30 300 31 1.3 13 39 1.5 15 41 0.86 9 42 3.2 32 43 14.1 141 44 19.3 193 45 0.13 1 54 1.1 11 55 5.9 59 56 10.7 107 57 0.74 7 58 1 10 67 1.7 17 68 1.1 11 69 0.4 4 70 5.3 53 71 3.6 36 72 8.7 87 73 0.36 4 81 1.7 17 82 1.1 11 83 2.9 29 84 0.31 3 85 2.3 23 86 99.99 999 87 5.7 57 95 0.15 2 97 2.1 21 98 2.3 23 99 3.8 38 100 0.67 7 101 1.1 11 102 1.1 11 104 3.3 33 111 0.32 3 112 1 10 113 1 10 127 1.1 11 143 0.36 4 149 2.9 29 155 1.1 11 167 1 10 169 0.1 1 183 2.3 23 185 8 80 186 4 40 213 0.32 3 224 1.5 15 259 1.7 17 //