ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001836
RECORD_TITLE: 1,5-PENTANEDIOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
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$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-055f-9000000000-6df68c0c336b19457aa8
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  15 1.57 16
  19 2.83 28
  26 2.2 22
  27 26.67 267
  28 16.04 160
  29 44.28 443
  30 4.09 41
  31 99.99 999
  33 2.7 27
  39 13.84 138
  40 5.22 52
  41 59.31 593
  42 11.01 110
  43 28.87 289
  44 30.57 306
  45 9.69 97
  53 3.21 32
  55 24.34 243
  56 39.18 392
  57 28.11 281
  58 3.71 37
  61 2.2 22
  67 17.8 178
  68 17.61 176
  69 4.15 42
  71 1.89 19
  73 5.16 52
  74 8.43 84
  85 1.01 10
  87 1.01 10
//