ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001219
RECORD_TITLE: 1-PARA-MENTHEN-3-YL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA
CH$NAME: 1-PARA-MENTHEN-3-YL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H20O2
CH$EXACT_MASS: 196.14633
CH$SMILES: CC(=O)OC(C=1)C(CCC(C)1)C(C)C
CH$IUPAC: InChI=1S/C12H20O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h7-8,11-12H,5-6H2,1-4H3
CH$LINK: INCHIKEY NADGBBLSBLDJEH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70923378
AC$INSTRUMENT: HITACHI RMU-6D
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-001d-9500000000-a94b9f46d6b8b68e81c9
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
  18 4.5 45
  27 4 40
  41 2 20
  43 2.05 21
  54 1 10
  55 7 70
  56 6 60
  57 0.85 9
  58 1 10
  59 1 10
  61 1 10
  66 0.95 10
  67 10.5 105
  68 15 150
  69 4 40
  70 4.7 47
  71 2 20
  77 3 30
  79 3 30
  80 0.95 10
  81 58 580
  82 38.5 385
  83 11 110
  84 0.7 7
  85 7 70
  86 3 30
  91 4 40
  92 0.8 8
  93 38 380
  94 18 180
  95 99.99 999
  96 3.3 33
  97 4 40
  99 2 20
  100 1 10
  106 0.15 2
  107 1 10
  108 13 130
  109 11 110
  110 0.4 4
  111 2 20
  112 6 60
  118 3 30
  120 1.4 14
  121 1.5 15
  122 40 400
  125 1 10
  134 0.15 2
  136 16.5 165
  137 6.5 65
  138 92 920
  139 1.3 13
  140 1 10
  141 1.5 15
  153 0.5 5
  154 0.05 1
  155 3.5 35
  156 1 10
  157 1 10
//
