MassBank Record: JP000256

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N-ACETYL-GLYCYL-VALYL-GLYCINE METHYL ESTER; FD-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: JP000256
RECORD_TITLE: N-ACETYL-GLYCYL-VALYL-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$NAME: N-ACETYL-GLYCYL-VALYL-GLYCINE METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H21N3O5
CH$EXACT_MASS: 287.14812
CH$SMILES: COC(=O)CNC(=O)C([H])(C(C)C)NC(=O)CNC(C)=O
CH$IUPAC: InChI=1S/C12H21N3O5/c1-7(2)11(12(19)14-6-10(18)20-4)15-9(17)5-13-8(3)16/h7,11H,5-6H2,1-4H3,(H,13,16)(H,14,19)(H,15,17)/t11-/m1/s1
CH$LINK: INCHIKEY XAHIQDXYCYBQRT-LLVKDONJSA-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$SPLASH: splash10-001i-9040000000-8e6cf5b8539869c75e3b
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  61 4.35 44
  81 22.73 227
  82 4.7 47
  83 99.99 999
  169 4 40
  171 7.05 71
  172 2.78 28
  236 2.87 29
  256 2 20
  270 6.53 65
  274 1.13 11
  286 7.05 71
  287 11.23 112
  288 28.83 288
  290 3.04 30
  574 6.18 62
  575 7.83 78
//