ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006302
RECORD_TITLE: S-METHYL-L-CYSTEINE; 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$NAME: S-METHYL-L-CYSTEINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₉NO₂S
CH$EXACT_MASS: 135.03540
CH$SMILES: OC(=O)C(N)CSC
CH$IUPAC: InChI=1S/C4H9NO2S/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
CH$LINK: CAS 1187-84-4
CH$LINK: INCHIKEY IDIDJDIHTAOVLG-VKHMYHEASA-N
CH$LINK: COMPTOX DTXSID50862579

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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-03fv-9000000000-d790345dc4143a2c43ef
PK$NUM_PEAK: 65
PK$PEAK: m/z int. rel.int.
  12 1.33 13
  13 1.55 16
  14 7.09 71
  15 30.79 308
  16 17.21 172
  17 23.46 235
  18 16.5 165
  19 2.8 28
  26 4.3 43
  27 27 270
  28 96.41 964
  29 14.34 143
  30 28.47 285
  31 1.32 13
  32 3.23 32
  33 1.42 14
  34 1.03 10
  35 18 180
  36 1.64 16
  37 0.96 10
  38 1.13 11
  39 2.48 25
  40 7.31 73
  41 21.66 217
  42 67.01 670
  43 75.22 752
  44 20.9 209
  45 74.39 744
  46 40.85 409
  47 29.65 297
  48 6.67 67
  49 2.41 24
  53 0.8 8
  54 0.56 6
  55 1.83 18
  56 1.96 20
  57 3.3 33
  58 5.68 57
  59 4.36 44
  60 1.94 19
  61 99.99 999
  62 57.44 574
  63 7.08 71
  64 2.92 29
  69 0.51 5
  70 1.46 15
  71 0.68 7
  72 1.06 11
  73 3.86 39
  74 52.67 527
  75 13.38 134
  76 1.39 14
  77 0.73 7
  87 6.42 64
  88 1.46 15
  89 1.2 12
  90 29.04 290
  91 1.85 19
  92 1.37 14
  103 0.9 9
  118 1.82 18
  119 2.63 26
  135 11.16 112
  136 1.75 18
  137 0.61 6
//