ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000087
RECORD_TITLE: N-ACETYL-ALANINE 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$NAME: N-ACETYL-ALANINE METHYLESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₁NO₃
CH$EXACT_MASS: 145.07389
CH$SMILES: COC(=O)C([H])(C)NC(C)=O
CH$IUPAC: InChI=1S/C6H11NO3/c1-4(6(9)10-3)7-5(2)8/h4H,1-3H3,(H,7,8)/t4-/m1/s1
CH$LINK: INCHIKEY FQGVVDYNRHNTCK-SCSAIBSYSA-N
CH$LINK: COMPTOX DTXSID20426223

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$SPLASH: splash10-0006-9000000000-df3a8de10fd3021cd5ec
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  14 1.5 15
  15 26.3 263
  26 1.3 13
  27 0.35 4
  28 10.2 102
  29 2.3 23
  30 1.1 11
  31 0.2 2
  33 1.7 17
  41 1.9 19
  42 11.2 112
  43 2.88 29
  44 99.99 999
  45 2.3 23
  55 1.2 12
  59 0.21 2
  70 1.2 12
  86 11.2 112
  87 1.6 16
  88 0.39 4
  102 1.4 14
  145 2.8 28
//