ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007289
RECORD_TITLE: METHYL (3S)-3-HYDROXY-5-METHYLTHIOPENTANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: ITO S, DEPT. OF CHEM., TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: METHYL (3S)-3-HYDROXY-5-METHYLTHIOPENTANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₄O₃S
CH$EXACT_MASS: 178.06637
CH$SMILES: N/A
CH$IUPAC: N/A

AC$INSTRUMENT: HITACHI M-52
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 25 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0h00-9400000000-eebc143ad0d14b34152b
PK$NUM_PEAK: 65
PK$PEAK: m/z int. rel.int.
  28 45.9 459
  29 10.3 103
  31 5.7 57
  32 1.43 14
  33 4 40
  35 2.3 23
  41 12.2 122
  42 1.11 11
  43 44.9 449
  44 6.5 65
  45 13.7 137
  46 0.21 2
  47 17.3 173
  48 26.5 265
  49 3.8 38
  53 0.44 4
  54 3.2 32
  55 3.4 34
  56 6.3 63
  57 0.4 4
  58 6.1 61
  59 15.6 156
  60 2.7 27
  61 99.99 999
  62 6.9 69
  63 4.4 44
  69 3.8 38
  70 2.86 29
  71 37.8 378
  72 4.6 46
  73 2.5 25
  74 2.96 30
  75 25.6 256
  76 11.2 112
  81 6.9 69
  82 0.31 3
  85 21.4 214
  86 7.1 71
  87 52 520
  88 0.53 5
  89 3.4 34
  97 2.5 25
  98 45.9 459
  99 0.65 7
  100 34.7 347
  101 31.6 316
  102 8 80
  103 2.14 21
  104 7.6 76
  105 11.6 116
  112 2.5 25
  113 3.67 37
  114 5 50
  115 2.5 25
  117 3.8 38
  128 0.9 9
  129 24.5 245
  130 45.9 459
  131 5 50
  147 0.63 6
  160 21.4 214
  161 5.3 53
  178 68.4 684
  179 0.42 4
  180 2.9 29
//