MassBank Record: JP000301



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

ACCESSION: JP000301
RECORD_TITLE: N-ACETYL-ALANYL-ALANYL-ALANINE 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$NAME: N-ACETYL-ALANYL-ALANYL-ALANINE METHYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H21N3O5 CH$EXACT_MASS: 287.14812 CH$SMILES: COC(=O)C([H])(C)NC(=O)C([H])(C)NC(=O)C([H])(C)NC(C)=O CH$IUPAC: InChI=1S/C12H21N3O5/c1-6(13-9(4)16)10(17)14-7(2)11(18)15-8(3)12(19)20-5/h6-8H,1-5H3,(H,13,16)(H,14,17)(H,15,18)/t6-,7-,8+/m1/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$SPLASH: splash10-0006-9100000000-52ffe69b2a7b54c596dc PK$NUM_PEAK: 30 PK$PEAK: m/z int. rel.int. 15 4.4 44 27 1.7 17 28 9.8 98 30 0.22 2 32 2 20 41 1.2 12 42 5.6 56 43 0.79 8 44 99.99 999 45 3.6 36 55 1.9 19 56 0.18 2 59 1.5 15 70 4 40 71 2.6 26 72 0.34 3 86 16.3 163 87 11.2 112 99 3.4 34 102 0.16 2 104 2 20 113 1.3 13 114 11.4 114 141 0.34 3 157 9.1 91 158 8.5 85 159 3.2 32 185 0.44 4 201 2.6 26 228 1.6 16 //