ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009774
RECORD_TITLE: 3-PHENOXY-1,2-PROPANEDIOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: 3-PHENOXY-1,2-PROPANEDIOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H12O3
CH$EXACT_MASS: 168.07864
CH$SMILES: OCC(O)COc(c1)cccc1
CH$IUPAC: InChI=1S/C9H12O3/c10-6-8(11)7-12-9-4-2-1-3-5-9/h1-5,8,10-11H,6-7H2
CH$LINK: INCHIKEY FNQIYTUXOKTMDM-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-D-300
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: splash10-0006-9200000000-564347ab7e5fd855e8be
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  27 5.3 53
  29 4.1 41
  31 5.8 58
  39 0.56 6
  41 3.1 31
  43 9.7 97
  45 6.7 67
  51 0.75 8
  56 2.8 28
  57 7.8 78
  61 3.3 33
  65 0.72 7
  66 5.9 59
  71 12.5 125
  77 21.3 213
  78 0.64 6
  79 4.7 47
  91 3 30
  94 99.99 999
  95 1.31 13
  99 10.8 108
  107 7.8 78
  108 6.3 63
  119 0.48 5
  142 5 50
  143 16.6 166
  168 18 180
//
