ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006418
RECORD_TITLE: ALPHA-METHYLBENZYL BUTYRATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: ALPHA-METHYLBENZYL BUTYRATE
CH$NAME: METHYL PHENYL CARBINYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₆O₂
CH$EXACT_MASS: 192.11503
CH$SMILES: CCCC(=O)OC(C)c(c1)cccc1
CH$IUPAC: InChI=1S/C12H16O2/c1-3-7-12(13)14-10(2)11-8-5-4-6-9-11/h4-6,8-10H,3,7H2,1-2H3
CH$LINK: COMPTOX DTXSID00863177
CH$LINK: INCHIKEY GGKADXREVJTZMF-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:570574

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$SPLASH: splash10-0kor-6900000000-c5c8fd3d6bf4a7182eb4
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  15 1.06 11
  27 17.2 172
  28 1.48 15
  29 1.92 19
  39 10.04 100
  41 11.43 114
  42 2.17 22
  43 41.78 418
  44 1.02 10
  50 2.87 29
  51 12.2 122
  52 2.45 25
  53 1.29 13
  55 1.11 11
  63 1.96 20
  65 1.41 14
  71 34.37 344
  72 1.14 11
  76 1.22 12
  77 28.49 285
  78 13.37 134
  79 14.77 148
  89 1.6 16
  91 1.4 14
  102 1.47 15
  103 13.47 135
  104 71.79 718
  105 99.99 999
  106 9.05 91
  107 5.93 59
  121 5.58 56
  122 73.12 731
  123 6.62 66
  192 11.71 117
  193 1.32 13
//