ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000092
RECORD_TITLE: N-ACETYL-METHIONINE 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$NAME: N-ACETYL-METHIONINE METHYLESTER
CH$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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-06s7-9300000000-794ac11e618a09d81cc3
PK$NUM_PEAK: 78
PK$PEAK: m/z int. rel.int.
  14 3.07 31
  15 14.72 147
  26 4.81 48
  27 14.66 147
  28 27.83 278
  29 5.15 52
  30 8.61 86
  31 4.72 47
  32 2.46 25
  33 8.54 85
  35 7.18 72
  39 5.24 52
  40 1.36 14
  41 14.34 143
  42 12.07 121
  43 99.99 999
  44 4.92 49
  45 13.24 132
  46 5.57 56
  47 14.56 146
  48 7.54 75
  49 2.98 30
  54 7.18 72
  55 5.21 52
  56 67.96 680
  57 18.77 188
  58 2.04 20
  59 7.35 74
  60 6.89 69
  61 77.35 774
  62 4.08 41
  63 3.98 40
  68 1.81 18
  70 1.55 16
  71 12.3 123
  72 1.68 17
  74 11.2 112
  75 15.53 155
  76 1.17 12
  77 1.04 10
  83 3.98 40
  84 4.05 41
  85 2.59 26
  86 2.52 25
  87 4.92 49
  88 35.28 353
  89 30.74 307
  90 1.65 17
  97 1.29 13
  98 10.81 108
  99 85.11 851
  100 7.22 72
  101 1.68 17
  102 17.8 178
  103 1.36 14
  104 28.16 282
  105 1.88 19
  106 1.36 14
  109 1.36 14
  112 13.56 136
  113 1.91 19
  114 7.93 79
  115 2.46 25
  116 6.83 68
  125 3.53 35
  126 2.2 22
  130 1.29 13
  131 91.59 916
  132 5.99 60
  144 16.51 165
  145 1.62 16
  146 9.09 91
  158 5.83 58
  162 5.83 58
  163 1.46 15
  173 1.91 19
  205 8.51 85
  206 1.29 13
//