ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001488
RECORD_TITLE: N-ACETYL-GLYCYL-GLYCYL-ISOLEUCYL-GLYCINE METHYL ESTER; FD-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$NAME: N-ACETYL-GLYCYL-GLYCYL-ISOLEUCYL-GLYCINE METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₆N₄O₆
CH$EXACT_MASS: 358.18523
CH$SMILES: COC(=O)CNC(=O)C([H])(NC(=O)CNC(=O)CNC(C)=O)C([H])(C)CC
CH$IUPAC: InChI=1S/C15H26N4O6/c1-5-9(2)14(15(24)18-8-13(23)25-4)19-12(22)7-17-11(21)6-16-10(3)20/h9,14H,5-8H2,1-4H3,(H,16,20)(H,17,21)(H,18,24)(H,19,22)/t9-,14-/m0/s1
CH$LINK: INCHIKEY ZCQBUIJWUQUPFI-XPTSAGLGSA-N

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: FD-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a5c-0139000100-74489da49607594c57a3
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  72 13.58 136
  171 31.74 317
  239 4.08 41
  242 58.58 586
  243 9.79 98
  359 99.99 999
  360 13.26 133
  368 2.52 25
  369 4.77 48
  381 47.77 478
  382 16.34 163
  383 5.13 51
  397 10.54 105
  579 2.08 21
  643 4.71 47
  665 2.85 29
  717 9.21 92
  718 4.17 42
  739 19.25 193
  740 7.92 79
  741 3.27 33
//