ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001486
RECORD_TITLE: N-ACETYL-GLYCYL-ALANYL-ALANYL-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$NAME: N-ACETYL-GLYCYL-ALANYL-ALANYL-GLYCINE METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₂N₄O₆
CH$EXACT_MASS: 330.15393
CH$SMILES: COC(=O)CNC(=O)C([H])(C)NC(=O)C([H])(C)NC(=O)CNC(C)=O
CH$IUPAC: InChI=1S/C13H22N4O6/c1-7(12(21)15-6-11(20)23-4)17-13(22)8(2)16-10(19)5-14-9(3)18/h7-8H,5-6H2,1-4H3,(H,14,18)(H,15,21)(H,16,19)(H,17,22)/t7-,8+/m0/s1
CH$LINK: INCHIKEY QXDJNCUBXZBMIK-JGVFFNPUSA-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$SPLASH: splash10-001i-0119002000-536391ec61f1150c48aa
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  116 7.99 80
  143 21.03 210
  157 15.02 150
  187 16.28 163
  211 5.92 59
  214 34.18 342
  215 12.94 129
  239 3.97 40
  330 86.51 865
  331 99.99 999
  353 55.84 558
  354 23.46 235
  368 16.97 170
  625 3.62 36
  661 4.37 44
  681 17.23 172
  682 4.2 42
  683 32.4 324
  684 23.43 234
  699 7.31 73
//