ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002589
RECORD_TITLE: N-ACETYL-GLYCYL-VALYL-LEUCYL-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$NAME: N-ACETYL-GLYCYL-VALYL-LEUCYL-ALANINE METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₃₄N₄O₆
CH$EXACT_MASS: 414.24783
CH$SMILES: CC(=O)NCC(=O)NC([H])(C(C)C)C(=O)NC([H])(CC(C)C)C(=O)NC([H])(C)C(=O)OC
CH$IUPAC: InChI=1S/C19H34N4O6/c1-10(2)8-14(17(26)21-12(5)19(28)29-7)22-18(27)16(11(3)4)23-15(25)9-20-13(6)24/h10-12,14,16H,8-9H2,1-7H3,(H,20,24)(H,21,26)(H,22,27)(H,23,25)/t12-,14-,16+/m0/s1
CH$LINK: INCHIKEY LJJHAWVPDHHHQY-DUVNUKRYSA-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$SPLASH: splash10-00dr-9100000000-fee0b99ef02cc2a3b469
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
  15 3.41 34
  26 1.31 13
  27 4.61 46
  28 9.75 98
  29 2.28 23
  30 14.92 149
  31 1.22 12
  39 3.18 32
  40 1.76 18
  41 7.8 78
  42 4.31 43
  43 7.52 75
  44 10.39 104
  53 1.35 14
  54 1.72 17
  55 5.85 59
  56 3.01 30
  57 1.87 19
  59 1.18 12
  67 1.04 10
  68 1.51 15
  69 2.78 28
  70 3.93 39
  71 2.55 26
  72 99.99 999
  73 3.43 34
  83 2.46 25
  84 1.8 18
  85 1.88 19
  86 92.02 920
  87 3.52 35
  96 1 10
  97 2.31 23
  98 2.83 28
  100 3.91 39
  102 1.3 13
  104 2.75 28
  113 1.5 15
  141 1.1 11
  158 1.18 12
  169 1.32 13
  171 5.06 51
  172 3.37 34
  183 1.22 12
  199 14.37 144
  200 1.79 18
  201 1.21 12
  211 1.29 13
  284 16.2 162
  285 5.1 51
  312 2.43 24
  357 2.98 30
  414 0.24 2
//