ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002522
RECORD_TITLE: BETA-PHENOXYETHYL ACETATE; 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$NAME: BETA-PHENOXYETHYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₂O₃
CH$EXACT_MASS: 180.07864
CH$SMILES: CC(=O)OCCOc(c1)cccc1
CH$IUPAC: InChI=1S/C10H12O3/c1-9(11)12-7-8-13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
CH$LINK: INCHIKEY WHFKYDMBUMLWDA-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:22568

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$SPLASH: splash10-000f-9000000000-f91e9ecf92bdc4f2c505
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  15 4.93 49
  27 1.98 20
  38 1.52 15
  39 7.2 72
  40 1.05 11
  42 1.59 16
  43 91.44 914
  44 2.2 22
  45 1.43 14
  50 2.17 22
  51 7.93 79
  63 1.8 18
  65 5.8 58
  66 2.11 21
  77 16.77 168
  78 1.65 17
  79 1.99 20
  87 99.99 999
  88 4.37 44
  91 2.34 23
  94 17.57 176
  95 1.63 16
  107 3.23 32
  120 2.36 24
  121 1 10
  180 5.03 50
//