ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007662
RECORD_TITLE: PHENOXYACETONE; 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$NAME: PHENOXYACETONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₀O₂
CH$EXACT_MASS: 150.06808
CH$SMILES: CC(=O)COc(c1)cccc1
CH$IUPAC: InChI=1S/C9H10O2/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6H,7H2,1H3
CH$LINK: INCHIKEY QWAVNXZAQASOML-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3060740

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$SPLASH: splash10-056u-9200000000-2292704aeb63b49840d4
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  15 8.89 89
  26 1.64 16
  27 6.23 62
  29 2.77 28
  31 1.81 18
  38 3.17 32
  39 16.53 165
  40 2.26 23
  41 8.77 88
  42 3.11 31
  43 80.25 803
  44 2.32 23
  45 3.4 34
  50 6.17 62
  51 22.92 229
  52 2.26 23
  53 1.7 17
  55 2.09 21
  57 1.81 18
  59 1.7 17
  62 1.7 17
  63 4.24 42
  64 1.7 17
  65 10.64 106
  66 6.28 63
  67 2.38 24
  69 2.15 22
  71 3.11 31
  74 2.55 26
  75 2.04 20
  76 2.26 23
  77 99.99 999
  78 14.83 148
  79 38.48 385
  80 2.6 26
  91 1.98 20
  93 1.75 18
  94 34.52 345
  95 5.21 52
  96 1.75 18
  99 10.17 102
  105 2.55 26
  107 56.88 569
  108 23.54 235
  109 2.15 22
  150 46.41 464
  151 4.92 49
  152 3.74 37
//