ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011334
RECORD_TITLE: N-ACETYLGLYCINE; 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$NAME: N-ACETYLGLYCINE
CH$NAME: ACETAMIDOACETIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₇NO₃
CH$EXACT_MASS: 117.04259
CH$SMILES: CC(=O)NCC(O)=O
CH$IUPAC: InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)
CH$LINK: CAS 543-24-8
CH$LINK: INCHIKEY OKJIRPAQVSHGFK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2043793

AC$INSTRUMENT: HITACHI M-2500
AC$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$SPLASH: splash10-008c-9000000000-c8db9b668b0e8c255556
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  14 1.63 16
  15 7.66 77
  27 1.15 12
  28 12.3 123
  29 4.26 43
  30 99.99 999
  31 3.38 34
  42 7 70
  43 73.43 734
  44 2.7 27
  45 5.03 50
  56 7.44 74
  57 3.26 33
  72 58 580
  73 31.51 315
  74 5.93 59
  76 5.51 55
  99 16.08 161
  100 1.75 18
  117 6.04 60
  118 26.67 267
  119 1.35 14
//