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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005252

N-ACETYLMETHIONINE ETHYL ESTER; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005252
RECORD_TITLE: N-ACETYLMETHIONINE ETHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: N-ACETYLMETHIONINE ETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H17NO3S
CH$EXACT_MASS: 219.09291
CH$SMILES: CCOC(=O)C([H])(CCSC)NC(C)=O
CH$IUPAC: InChI=1S/C9H17NO3S/c1-4-13-9(12)8(5-6-14-3)10-7(2)11/h8H,4-6H2,1-3H3,(H,10,11)/t8-/m1/s1
CH$LINK: INCHIKEY HWRSILOQIXCGQU-MRVPVSSYSA-N

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-0lxt-6910000000-9229555cd03df45f68c1
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  15 2.4 24
  27 4.7 47
  29 7.7 77
  43 9.04 90
  44 17.7 177
  56 40.1 401
  61 50.1 501
  74 1.44 14
  75 10.1 101
  83 5.5 55
  88 8.6 86
  99 9.52 95
  103 23.3 233
  104 43.8 438
  112 24.1 241
  128 0.82 8
  130 7.5 75
  139 2.2 22
  145 99.99 999
  146 2.51 25
  158 18.9 189
  172 6.9 69
  173 3.3 33
  174 0.34 3
  176 6.5 65
  219 21.3 213
  220 7.4 74
//

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