ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001156
RECORD_TITLE: L-MENTHYL 4-(1-CYCLOPENTENYLMETHYL)-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$NAME: L-MENTHYL 4-(1-CYCLOPENTENYLMETHYL)-3-OXOHEXANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₃₆O₃
CH$EXACT_MASS: 348.26645
CH$SMILES: CCC(CC(C2)=CCC2)C(=O)CC(=O)OC(C1)C(CCC(C)1)C(C)C
CH$IUPAC: InChI=1S/C22H36O3/c1-5-18(13-17-8-6-7-9-17)20(23)14-22(24)25-21-12-16(4)10-11-19(21)15(2)3/h8,15-16,18-19,21H,5-7,9-14H2,1-4H3/t16-,18?,19+,21-/m1/s1
CH$LINK: INCHIKEY SFMNHMUJLBEBKS-GSYZTTQLSA-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$SPLASH: splash10-001l-9400000000-b823208eccdfb0b6e399
PK$NUM_PEAK: 72
PK$PEAK: m/z int. rel.int.
  40 2 20
  41 47 470
  42 5 50
  43 33 330
  51 2 20
  53 12 120
  54 4 40
  55 55 550
  56 7 70
  57 31 310
  58 2 20
  65 4 40
  66 3 30
  67 30 300
  68 5 50
  69 43 430
  70 5 50
  71 21 210
  77 8 80
  78 2 20
  79 4 40
  80 17 170
  81 99.99 999
  82 15 150
  83 65 650
  84 7 70
  85 2 20
  87 2 20
  91 5 50
  93 9 90
  94 5 50
  95 28 280
  96 7 70
  97 19 190
  98 2 20
  105 2 20
  107 4 40
  108 3 30
  109 4 40
  110 2 20
  111 2 20
  112 3 30
  121 8 80
  122 15 150
  123 87 870
  124 10 100
  129 12 120
  130 40 400
  131 4 40
  132 3 30
  133 3 30
  135 3 30
  136 2 20
  137 2 20
  138 17 170
  139 12 120
  150 9 90
  151 10 100
  152 3 30
  163 7 70
  164 3 30
  180 18 180
  181 2 20
  191 5 50
  192 33 330
  193 8 80
  210 56 560
  211 8 80
  269 3 30
  330 1 10
  348 2.5 25
  349 0.5 5
//