ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000297
RECORD_TITLE: N-ACETYL-GLYCYL-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$NAME: N-ACETYL-GLYCYL-ALANYL-GLYCINE METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₇N₃O₅
CH$EXACT_MASS: 259.11682
CH$SMILES: COC(=O)CNC(=O)C([H])(C)NC(=O)CNC(C)=O
CH$IUPAC: InChI=1S/C10H17N3O5/c1-6(10(17)12-5-9(16)18-3)13-8(15)4-11-7(2)14/h6H,4-5H2,1-3H3,(H,11,14)(H,12,17)(H,13,15)/t6-/m1/s1
CH$LINK: INCHIKEY WBVHFIJZXUJKNA-ZCFIWIBFSA-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$SPLASH: splash10-0006-9100000000-0dca19dadfbe29e6cf48
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  15 5.9 59
  27 1.6 16
  28 9.9 99
  29 0.18 2
  30 36.2 362
  31 2.5 25
  41 1.1 11
  42 0.41 4
  43 14.5 145
  44 99.99 999
  45 4.5 45
  55 0.18 2
  56 4.8 48
  57 4.3 43
  58 1.1 11
  59 0.1 1
  60 1 10
  70 2.9 29
  72 13.7 137
  73 0.77 8
  85 3.3 33
  88 2 20
  89 2.3 23
  99 0.27 3
  100 11.3 113
  101 1.2 12
  127 4.5 45
  143 1.62 16
  144 10.2 102
  145 1.9 19
  155 1.1 11
  171 0.48 5
  187 1.5 15
  259 0.7 7
//