ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005854
RECORD_TITLE: 1,5-PENTANEDIOL; 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$NAME: 1,5-PENTANEDIOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₁₂O₂
CH$EXACT_MASS: 104.08373
CH$SMILES: OCCCCCO
CH$IUPAC: InChI=1S/C5H12O2/c6-4-2-1-3-5-7/h6-7H,1-5H2
CH$LINK: INCHIKEY ALQSHHUCVQOPAS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2041256

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$SPLASH: splash10-0a4l-9000000000-fc6409a522c41d189612
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  15 6.68 67
  26 2.86 29
  27 28.88 289
  28 21.48 215
  29 33.41 334
  30 3.1 31
  31 96.9 969
  32 2.63 26
  33 2.86 29
  38 1.43 14
  39 16.23 162
  40 5.73 57
  41 69.93 699
  42 13.84 138
  43 34.37 344
  44 50.12 501
  45 17.66 177
  46 1.19 12
  53 6.68 67
  54 3.34 33
  55 57.04 570
  56 99.99 999
  57 65.15 652
  58 11.69 117
  61 2.86 29
  62 1.19 12
  67 19.33 193
  68 42.96 430
  69 4.3 43
  71 5.01 50
  73 10.98 110
  74 22.91 229
  75 1.19 12
  85 3.1 31
  86 3.82 38
//