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MassBank Record: JP000294

N-ACETYL-ALANYL-ALANINE METHYL ESTER; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: JP000294
RECORD_TITLE: N-ACETYL-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$NAME: N-ACETYL-ALANYL-ALANINE METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H16N2O4
CH$EXACT_MASS: 216.11101
CH$SMILES: COC(=O)C([H])(C)NC(=O)C([H])(C)NC(C)=O
CH$IUPAC: InChI=1S/C9H16N2O4/c1-5(10-7(3)12)8(13)11-6(2)9(14)15-4/h5-6H,1-4H3,(H,10,12)(H,11,13)/t5-,6+/m1/s1
CH$LINK: INCHIKEY CXWPLQYKHLCSPO-RITPCOANSA-N

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$SPLASH: splash10-0006-9000000000-f1e5c2f4a9ce9214184f
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  15 6.6 66
  27 2 20
  28 5.3 53
  30 0.52 5
  41 1.1 11
  42 6.2 62
  43 13.3 133
  44 99.99 999
  45 3.4 34
  55 1.4 14
  59 1.9 19
  70 0.21 2
  72 8.6 86
  86 20.8 208
  87 35.3 353
  88 0.18 2
  99 1.2 12
  102 1.7 17
  114 3.2 32
  157 1.7 17
//

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