ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005521
RECORD_TITLE: N-ACETYLMETHIONINE 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$NAME: N-ACETYLMETHIONINE METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₅NO₃S
CH$EXACT_MASS: 205.07726
CH$SMILES: COC(=O)C([H])(CCSC)NC(C)=O
CH$IUPAC: InChI=1S/C8H15NO3S/c1-6(10)9-7(4-5-13-3)8(11)12-2/h7H,4-5H2,1-3H3,(H,9,10)/t7-/m1/s1
CH$LINK: INCHIKEY YVMKSJIMTATAAS-SSDOTTSWSA-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$SPLASH: splash10-001j-9700000000-eb806ad44c15cb9ef319
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
  28 2.38 24
  41 2.43 24
  42 2.05 21
  43 14.65 147
  47 3.03 30
  48 1.78 18
  55 1.19 12
  56 22.22 222
  57 9.95 100
  60 3.51 35
  61 21.73 217
  62 1.46 15
  71 5.78 58
  74 4.16 42
  75 9.19 92
  83 2.49 25
  84 2 20
  85 1.19 12
  87 2.11 21
  88 17.3 173
  89 29.73 297
  90 1.08 11
  98 7.35 74
  99 71.62 716
  100 19.03 190
  105 1.08 11
  109 1.24 12
  112 13.08 131
  113 1.46 15
  114 6.65 67
  115 1.95 20
  116 5.57 56
  125 3.16 32
  126 2.11 21
  131 99.99 999
  132 6.05 61
  144 17.62 176
  145 1.46 15
  146 6.59 66
  158 5.62 56
  162 5.42 54
  163 1.3 13
  173 1.78 18
  205 7.84 78
  206 1.62 16
//