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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002471

D-CAMPHOLIC ACID; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002471
RECORD_TITLE: D-CAMPHOLIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: D-CAMPHOLIC ACID
CH$NAME: (D)-TRANS-1,2,2,3-TETRAMETHYLCYCLOPENTANECARBOXYLIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H18O2
CH$EXACT_MASS: 170.13068
CH$SMILES: OC(=O)C(C)(C1)C(C)(C)C([H])(C)C1
CH$IUPAC: InChI=1S/C10H18O2/c1-7-5-6-10(4,8(11)12)9(7,2)3/h7H,5-6H2,1-4H3,(H,11,12)/t7-,10+/m1/s1
CH$LINK: INCHIKEY JDFOIACPOPEQLS-XCBNKYQSSA-N

AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-00lr-9000000000-7e708060dec5f0ea6624
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  42 2.55 26
  43 11.66 117
  45 6.97 70
  53 3.67 37
  55 15.86 159
  56 6.43 64
  57 2.81 28
  58 1.86 19
  59 10.48 105
  67 4.77 48
  68 2.1 21
  69 73.71 737
  70 9.43 94
  71 2.33 23
  73 1.93 19
  74 5 50
  77 1.13 11
  79 1.27 13
  81 3.22 32
  82 1.83 18
  83 6.83 68
  84 99.99 999
  85 7.89 79
  87 16.71 167
  95 2.21 22
  96 9.69 97
  97 9.12 91
  99 2.32 23
  100 2.85 29
  101 1.24 12
  109 7.39 74
  110 1.5 15
  113 3.3 33
  114 3.97 40
  115 1.12 11
  127 1.97 20
  152 1.41 14
  170 4.68 47
//

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