ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008502
RECORD_TITLE: 2-METHYLPROPYL 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$NAME: 2-METHYLPROPYL PHENYLACETATE
CH$NAME: ISOBUTYL PHENYLACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H16O2
CH$EXACT_MASS: 192.11503
CH$SMILES: CC(C)COC(=O)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C12H16O2/c1-10(2)9-14-12(13)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
CH$LINK: COMPTOX DTXSID6051512
CH$LINK: INCHIKEY RJASFPFZACBKBE-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:60998
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$SPLASH: splash10-0006-9100000000-2ed3a29b195420794f5d
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  27 7.56 76
  29 23.29 233
  38 1.17 12
  39 14.11 141
  41 37.67 377
  42 1.73 17
  43 6.24 62
  50 1.3 13
  51 3.34 33
  52 1.14 11
  55 1.72 17
  56 4.85 49
  57 58.55 586
  58 2.09 21
  62 1.05 11
  63 4.89 49
  64 1.53 15
  65 17.99 180
  71 1.08 11
  89 5.32 53
  90 3.97 40
  91 99.99 999
  92 25.08 251
  93 1.53 15
  119 6.68 67
  136 25.89 259
  137 8.93 89
  192 1.52 15
//
