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(1R)-(+)-ALPHA-PINENE; EI-B; MS

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

ACCESSION: JP005733
RECORD_TITLE: (1R)-(+)-ALPHA-PINENE; 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$NAME: (1R)-(+)-ALPHA-PINENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H16
CH$EXACT_MASS: 136.12520
CH$SMILES: [H]C(C1)=C(C)C([H])(C2)C(C)(C)C([H])12
CH$IUPAC: InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m1/s1
CH$LINK: CAS 7785-70-8
CH$LINK: INCHIKEY GRWFGVWFFZKLTI-RKDXNWHRSA-N
CH$LINK: COMPTOX DTXSID7041671

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-0006-9100000000-efa1a7d8bd0221192f0d
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  41 6.72 67
  42 1.48 15
  43 18.57 186
  45 1.78 18
  53 1.78 18
  55 9.94 99
  56 2.33 23
  57 3.56 36
  58 2.99 30
  59 3.99 40
  67 11.97 120
  68 9.04 90
  69 11.9 119
  70 4.16 42
  71 2.79 28
  77 8.25 83
  78 1.86 19
  79 19.18 192
  80 11.69 117
  81 7.98 80
  82 8.38 84
  83 6.83 68
  84 4.39 44
  85 1.41 14
  91 12.77 128
  92 40.56 406
  93 99.99 999
  94 15.18 152
  96 2.39 24
  97 3.31 33
  98 1.63 16
  105 4.99 50
  106 1.67 17
  107 8.24 82
  108 3.26 33
  109 12.5 125
  110 2.05 21
  111 0.96 10
  119 4.24 42
  120 0.83 8
  121 13.25 133
  122 1.42 14
  134 1.4 14
  135 1.8 18
  136 7.35 74
  137 3.53 35
//