ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008746
RECORD_TITLE: 3-(METHYLTHIO)PROPANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: 3-(METHYLTHIO)PROPANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₁₀OS
CH$EXACT_MASS: 106.04524
CH$SMILES: OCCCSC
CH$IUPAC: InChI=1S/C4H10OS/c1-6-4-2-3-5/h5H,2-4H2,1H3
CH$LINK: INCHIKEY CZUGFKJYCPYHHV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7060128

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0a4j-9100000000-a11a6dbaea6cd0cb9f50
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  14 1.37 14
  15 6.64 66
  26 4.87 49
  27 37.97 380
  28 11.36 114
  29 26.1 261
  30 11.2 112
  31 78.94 789
  34 1.18 12
  35 16.63 166
  37 1.63 16
  38 1.69 17
  39 14.61 146
  40 4 40
  41 38.53 385
  42 3.06 31
  43 6.47 65
  44 1.87 19
  45 54.24 542
  46 29.13 291
  47 60.91 609
  48 43.6 436
  49 50.43 504
  50 2.2 22
  51 1.85 19
  55 2.2 22
  56 1 10
  57 67.41 674
  58 74.52 745
  59 27.83 278
  60 5.34 53
  61 99.99 999
  62 12.19 122
  63 4.61 46
  71 1.12 11
  72 1.63 16
  73 32.23 322
  74 1.71 17
  75 18.33 183
  76 1.41 14
  77 1.4 14
  87 1.46 15
  88 9.01 90
  89 1.12 11
  106 93.41 934
  107 4.41 44
  108 3.62 36
//