ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005520
RECORD_TITLE: N-ACETYLSERINE METHYL ESTER; 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$NAME: N-ACETYLSERINE METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₁NO₄
CH$EXACT_MASS: 161.06881
CH$SMILES: OCC(NC(C)=O)C(=O)OC
CH$IUPAC: InChI=1S/C6H11NO4/c1-4(9)7-5(3-8)6(10)11-2/h5,8H,3H2,1-2H3,(H,7,9)
CH$LINK: INCHIKEY ONUNDAQVOOLWTH-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 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0f6x-9700000000-da4fbf6c55401c347002
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
  27 1.12 11
  28 8.84 88
  29 1.97 20
  30 2.23 22
  31 3.78 38
  32 2.83 28
  33 4.38 44
  40 2.06 21
  41 18.28 183
  42 68.96 690
  43 77.18 772
  54 1.54 15
  55 2.75 28
  56 3.6 36
  57 1.8 18
  58 5.58 56
  59 6.52 65
  60 1.72 17
  65 1.63 16
  68 1.37 14
  71 26.86 269
  72 1.72 17
  80 5.49 55
  83 5.58 56
  84 9.52 95
  85 1.2 12
  86 2.57 26
  87 1.03 10
  100 3.78 38
  101 99.99 999
  102 10.3 103
  103 1.29 13
  105 3.78 38
  106 3.6 36
  109 5.05 51
  110 1.03 10
  111 32.18 322
  112 8.84 88
  113 1.03 10
  114 1.29 13
  115 4.29 43
  116 3.35 34
  143 48.93 489
  144 6.01 60
  145 1.72 17
//