MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001837

1,3-PROPANEDIOL; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001837
RECORD_TITLE: 1,3-PROPANEDIOL; 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

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CH$NAME: 1,3-PROPANEDIOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃H₈O₂
CH$EXACT_MASS: 76.05243
CH$SMILES: OCCCO
CH$IUPAC: InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2
CH$LINK: INCHIKEY YPFDHNVEDLHUCE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8041246

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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

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-057i-9000000000-8a78b7d323abef680fac
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  14 2.69 27
  15 9.27 93
  19 19.49 195
  26 8.47 85
  27 35.75 358
  28 99.99 999
  29 47.98 480
  30 16.53 165
  31 90.05 901
  39 6.72 67
  40 4.03 40
  41 11.69 117
  42 5.65 57
  43 18.68 187
  44 5.51 55
  45 19.09 191
  46 9.41 94
  47 3.63 36
  53 3.09 31
  55 4.97 50
  56 4.17 42
  57 57.26 573
  58 51.48 515
  59 4.03 40
//