ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008501
RECORD_TITLE: BUTYL PHENYLACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: BUTYL PHENYLACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₆O₂
CH$EXACT_MASS: 192.11503
CH$SMILES: CCCCOC(=O)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C12H16O2/c1-2-3-9-14-12(13)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3
CH$LINK: INCHIKEY LDOXTQYWWYXYSQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9059541

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0006-9000000000-b71f6b7831b5a6500359
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  27 8.12 81
  29 25.14 251
  39 9.91 99
  41 29.14 291
  42 1.4 14
  43 1.43 14
  50 1.07 11
  51 2.86 29
  52 1.05 11
  55 2.11 21
  56 2.09 21
  57 42.83 428
  58 1.61 16
  63 4.29 43
  64 1.39 14
  65 16.66 167
  89 4.73 47
  90 2.92 29
  91 99.99 999
  92 32.28 323
  93 1.67 17
  119 3.22 32
  136 18.37 184
  137 3.12 31
  192 6.69 67
//