ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000295
RECORD_TITLE: N-ACETYL-GLYCYL-GLYCYL-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$NAME: N-ACETYL-GLYCYL-GLYCYL-GLYCINE METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₅N₃O₅
CH$EXACT_MASS: 245.10117
CH$SMILES: COC(=O)CNC(=O)CNC(=O)CNC(C)=O
CH$IUPAC: InChI=1S/C9H15N3O5/c1-6(13)10-3-7(14)11-4-8(15)12-5-9(16)17-2/h3-5H2,1-2H3,(H,10,13)(H,11,14)(H,12,15)
CH$LINK: INCHIKEY RBKYCFQDIAZTQJ-UHFFFAOYSA-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$SPLASH: splash10-0089-9300000000-e1fbf8a0f08ad24bbc28
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
  14 1.2 12
  15 10.8 108
  27 1.5 15
  28 2.02 20
  29 4.6 46
  30 99.99 999
  31 6.5 65
  32 0.17 2
  41 1.8 18
  42 6.1 61
  43 29.2 292
  44 0.85 9
  45 5.7 57
  55 1.7 17
  56 9.9 99
  57 0.18 2
  58 2.6 26
  59 2.9 29
  60 3.8 38
  71 0.49 5
  72 29.6 296
  73 31.7 317
  74 2.3 23
  85 0.47 5
  87 1.7 17
  88 6.7 67
  89 1.3 13
  90 0.65 7
  99 1.9 19
  100 40.5 405
  101 2.4 24
  103 0.16 2
  113 9.3 93
  114 2.2 22
  115 1.4 14
  129 0.6 6
  130 27.3 273
  131 5.9 59
  141 4.2 42
  146 0.25 3
  147 1.8 18
  149 1.1 11
  156 1.3 13
  157 1.24 12
  158 1.1 11
  173 11.8 118
  174 1.1 11
  186 0.17 2
  213 2.1 21
  245 4.1 41
  246 1.1 11
//