MassBank Record: JP005734

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(1S)-(-)-BETA-PINENE; EI-B; MS

Mass Spectrum
Chemical Structure
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ACCESSION: JP005734
RECORD_TITLE: (1S)-(-)-BETA-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$NAME: (1S)-(-)-BETA-PINENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H16
CH$EXACT_MASS: 136.12520000000000663931132294237613677978515625
CH$SMILES: C=C(C2)C([H])(C1)C(C)(C)C([H])(C2)1
CH$IUPAC: InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9-/m0/s1
CH$LINK: CAS 18172-67-3
CH$LINK: COMPTOX DTXSID1041184
CH$LINK: INCHIKEY WTARULDDTDQWMU-IUCAKERBSA-N

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$SPLASH: splash10-002f-9000000000-30fa40ae82c24567182c
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
  14 2.3 23
  15 3.7 37
  16 1.5 15
  17 5.3 53
  18 18 180
  26 2.5 25
  27 28.5 285
  28 23.8 238
  29 10.2 102
  32 7 70
  38 2.7 27
  39 39.1 391
  40 6.5 65
  41 69.1 691
  42 3.8 38
  43 8.7 87
  50 3.4 34
  51 9.4 94
  52 6 60
  53 16.2 162
  54 2.3 23
  55 10.5 105
  56 1.1 11
  57 1 10
  63 2.9 29
  65 7.8 78
  66 3 30
  67 12.6 126
  68 3.6 36
  69 43.5 435
  70 2.4 24
  77 23 230
  78 5.6 56
  79 26.3 263
  80 11.3 113
  81 3.9 39
  82 1.7 17
  91 19.6 196
  92 9.2 92
  93 99.99 999
  94 13.3 133
  95 2.7 27
  105 3.1 31
  107 4.3 43
  108 1.4 14
  121 10.2 102
  122 0.9 9
  136 7.2 72
  137 0.7 7
//