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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007627

N-ACETYLMETHIONINE METHYL ESTER; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007627
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 15 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-001i-5900000000-87651537e184efa4f345
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  28 1.33 13
  43 3.65 37
  47 1.16 12
  48 1.91 19
  56 8.05 81
  57 2.74 27
  60 1.83 18
  61 5.56 56
  71 1.74 17
  74 1.91 19
  75 4.81 48
  83 1.24 12
  88 6.39 64
  89 19.59 196
  98 5.39 54
  99 49.38 494
  100 2.9 29
  102 10.95 110
  104 11.45 115
  112 10.62 106
  113 1 10
  114 4.91 49
  115 1.58 16
  116 4.15 42
  125 2.74 27
  126 1.83 18
  131 99.99 999
  132 5.98 60
  144 18.01 180
  145 1.41 14
  146 5.23 52
  158 5.48 55
  162 5.23 52
  163 1.16 12
  173 1.66 17
  205 7.3 73
  206 1.58 16
//

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