MassBank Record: JP000086

Home Search Record Index

N-ACETYL-GLYCINE METHYLESTER; EI-B; MS

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

ACCESSION: JP000086
RECORD_TITLE: N-ACETYL-GLYCINE METHYLESTER; 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$NAME: N-ACETYL-GLYCINE METHYLESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H9NO3
CH$EXACT_MASS: 131.05824000000001205989974550902843475341796875
CH$SMILES: COC(=O)CNC(C)=O
CH$IUPAC: InChI=1S/C5H9NO3/c1-4(7)6-3-5(8)9-2/h3H2,1-2H3,(H,6,7)
CH$LINK: COMPTOX DTXSID50333754
CH$LINK: INCHIKEY RFNODQARGNZURK-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$SPLASH: splash10-001i-9000000000-8eb79a1b4590896d6e2c
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  14 2.7 27
  15 23.9 239
  27 1.2 12
  28 1.33 13
  29 5.1 51
  30 99.99 999
  31 2 20
  33 0.19 2
  42 7.2 72
  43 49.3 493
  44 2.8 28
  45 0.17 2
  55 1.1 11
  56 4.5 45
  57 1.1 11
  59 0.22 2
  72 32.3 323
  73 1.4 14
  88 3 30
  89 0.55 6
  99 11.9 119
  100 3.1 31
  131 3.7 37
//