ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001155
RECORD_TITLE: L-MENTHYL 3-OXOHEXANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NAKAYAMA M, MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: L-MENTHYL 3-OXOHEXANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₂₈O₃
CH$EXACT_MASS: 268.20384
CH$SMILES: CCCC(=O)CC(=O)OC(C1)C(CCC(C)1)C(C)C
CH$IUPAC: InChI=1S/C16H28O3/c1-5-6-13(17)10-16(18)19-15-9-12(4)7-8-14(15)11(2)3/h11-12,14-15H,5-10H2,1-4H3/t12-,14?,15-/m0/s1
CH$LINK: INCHIKEY VUQAUGNLGQCAEF-JDLVMGNASA-N

AC$INSTRUMENT: HITACHI RMU-6L
AC$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$SPLASH: splash10-0536-9200000000-21b063f4e8468de4e087
PK$NUM_PEAK: 85
PK$PEAK: m/z int. rel.int.
  40 4 40
  41 70 700
  42 13 130
  43 99.99 999
  44 3 30
  45 2 20
  51 1 10
  52 1 10
  53 8 80
  54 8 80
  55 58 580
  56 9 90
  57 35 350
  58 6 60
  59 2 20
  60 1 10
  65 3 30
  66 2 20
  67 19 190
  68 9 90
  69 41 410
  70 6 60
  71 72 720
  72 3 30
  74 1 10
  77 3 30
  78 1 10
  79 6 60
  80 8 80
  81 65 650
  82 26 260
  83 70 700
  84 8 80
  85 3 30
  86 2 20
  87 2 20
  91 2 20
  94 3 30
  95 68 680
  96 20 200
  97 14 140
  98 2 20
  99 1 10
  102 2 20
  105 1 10
  107 1 10
  109 8 80
  110 5 50
  111 3 30
  112 3 30
  113 16 160
  114 1 10
  115 1 10
  121 1 10
  122 1 10
  123 30 300
  124 3 30
  125 1 10
  127 1 10
  128 1 10
  129 3 30
  130 4 40
  131 15 150
  132 2 20
  137 4 40
  138 77 770
  139 24 240
  140 2 20
  141 2 20
  145 6 60
  146 1 10
  149 1 10
  150 1 10
  151 1 10
  152 1 10
  153 1 10
  154 1 10
  155 5 50
  156 1 10
  157 1 10
  170 1 10
  171 1 10
  267 0.4 4
  268 0.9 9
  269 0.1 1
//