ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007313
RECORD_TITLE: ALLYL ALCOHOL; 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$NAME: ALLYL ALCOHOL
CH$NAME: 2-PROPEN-1-OL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃H₆O
CH$EXACT_MASS: 58.04186
CH$SMILES: C=CCO
CH$IUPAC: InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2
CH$LINK: CAS 107-18-6
CH$LINK: INCHIKEY XXROGKLTLUQVRX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8020044

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$SPLASH: splash10-0a6r-9000000000-cdac996ba92e437d2490
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  14 1.32 13
  15 2.56 26
  25 2.23 22
  26 11.79 118
  27 27.97 280
  28 17.17 172
  29 29.54 295
  30 16.26 163
  31 44.07 441
  37 4.3 43
  38 6.08 61
  39 29.67 297
  40 9.51 95
  41 5.91 59
  42 1.28 13
  43 4.96 50
  53 1.57 16
  55 5.42 54
  56 1.73 17
  57 99.99 999
  58 35.21 352
  59 1.53 15
//