ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005662
RECORD_TITLE: ALLYL PHENOXYACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: ALLYL PHENOXYACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₂O₃
CH$EXACT_MASS: 192.07864
CH$SMILES: C=CCOC(=O)COc(c1)cccc1
CH$IUPAC: InChI=1S/C11H12O3/c1-2-8-13-11(12)9-14-10-6-4-3-5-7-10/h2-7H,1,8-9H2
CH$LINK: INCHIKEY VUFZVGQUAVDKMC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3064722

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a6u-9700000000-fd2dc283a96bf695713d
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  39 3.86 39
  41 37.82 378
  42 3.11 31
  51 1.48 15
  55 1.03 10
  59 5.93 59
  60 1 10
  65 4.13 41
  66 1.01 10
  77 73.81 738
  78 5.18 52
  79 25.73 257
  94 6.07 61
  107 99.99 999
  108 7.26 73
  192 29.85 299
  193 3.69 37
//