ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006480
RECORD_TITLE: BETA-TERPINYL ACETATE; 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$NAME: BETA-TERPINYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₀O₂
CH$EXACT_MASS: 196.14633
CH$SMILES: CC(=O)OC(C)(C1)CCC(C(C)=C)C1
CH$IUPAC: InChI=1S/C12H20O2/c1-9(2)11-5-7-12(4,8-6-11)14-10(3)13/h11H,1,5-8H2,2-4H3
CH$LINK: INCHIKEY URVNHQCLMBMWIW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6051510

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$SPLASH: splash10-0006-9200000000-3f599a73b2235d405fec
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
  15 3.03 30
  27 7.9 79
  29 10.01 100
  39 14.08 141
  40 3.03 30
  41 25.47 255
  42 2.9 29
  43 99.99 999
  44 1.87 19
  45 1.17 12
  51 1.9 19
  52 1.27 13
  53 13.8 138
  54 2.45 25
  55 16.39 164
  56 1.29 13
  57 1.59 16
  58 3.96 40
  61 1.16 12
  65 3.23 32
  66 2.14 21
  67 23.52 235
  68 60.91 609
  69 14.99 150
  71 17.1 171
  72 1.06 11
  77 7.66 77
  78 2.43 24
  79 26.11 261
  80 14.31 143
  81 31.66 317
  82 3.87 39
  83 4.1 41
  84 2.64 26
  91 7.61 76
  92 30.14 301
  93 91.37 914
  94 47.51 475
  95 23.26 233
  96 2.44 24
  97 1.84 18
  105 3.53 35
  106 1.23 12
  107 48.06 481
  108 14.57 146
  109 2.52 25
  111 2.61 26
  121 46.24 462
  122 4.26 43
  135 1.18 12
  136 49.09 491
  137 8.52 85
  139 2.65 27
//