ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007412
RECORD_TITLE: GLYCYLGLYCYLGLYCYLGLYCINE; 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$NAME: GLYCYLGLYCYLGLYCYLGLYCINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H14N4O5
CH$EXACT_MASS: 246.09642
CH$SMILES: NCC(=O)NCC(=O)NCC(=O)NCC(O)=O
CH$IUPAC: InChI=1S/C8H14N4O5/c9-1-5(13)10-2-6(14)11-3-7(15)12-4-8(16)17/h1-4,9H2,(H,10,13)(H,11,14)(H,12,15)(H,16,17)
CH$LINK: CAS 637-84-3
CH$LINK: INCHIKEY QMOQBVOBWVNSNO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50213103
AC$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: splash10-01u3-9200000000-7ed4cef5055864751b3c
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
  26 2.52 25
  27 12.41 124
  28 69.11 691
  29 28.53 285
  30 99.99 999
  31 3.9 39
  39 2.32 23
  40 2.64 26
  41 10.28 103
  42 30.1 301
  43 20.17 202
  44 32.46 325
  45 2.92 29
  52 1.34 13
  53 1.42 14
  54 7.37 74
  55 13.12 131
  56 8.08 81
  57 2.44 24
  58 4.49 45
  59 2.36 24
  67 1.06 11
  68 2.99 30
  69 2.48 25
  70 1.3 13
  71 33.64 336
  72 3.15 32
  74 1.22 12
  75 4.22 42
  80 1.38 14
  81 1.77 18
  82 1.77 18
  83 1.3 13
  85 2.76 28
  86 5.2 52
  96 2.17 22
  97 1.26 13
  98 6.93 69
  100 1.58 16
  111 1.85 19
  112 1.77 18
  113 1.06 11
  114 77.49 775
  115 4.41 44
  124 1.06 11
  125 4.02 40
  128 1.1 11
  153 10.64 106
  154 1.1 11
  156 1.58 16
//
