ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009158
RECORD_TITLE: PENTANETHIOL; 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$NAME: PENTANETHIOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₁₂S
CH$EXACT_MASS: 104.06597
CH$SMILES: CCCCCS
CH$IUPAC: InChI=1S/C5H12S/c1-2-3-4-5-6/h6H,2-5H2,1H3
CH$LINK: INCHIKEY ZRKMQKLGEQPLNS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9041605

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$SPLASH: splash10-0006-9000000000-29c734288b44fcc8d749
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  15 2.71 27
  26 4.3 43
  27 27.28 273
  28 3.18 32
  29 25.91 259
  33 1.11 11
  35 4.54 45
  39 19.61 196
  40 4.68 47
  41 39.73 397
  42 99.99 999
  43 20.24 202
  45 10.8 108
  46 5.77 58
  47 23.53 235
  49 2.58 26
  51 1.21 12
  53 3.64 36
  55 45.59 456
  56 4.82 48
  57 4.16 42
  58 1.54 15
  59 4.32 43
  60 3.2 32
  61 13.36 134
  62 2.54 25
  69 3.61 36
  70 37.96 380
  71 4.72 47
  104 33.97 340
  105 2.81 28
  106 1.4 14
//