ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007116
RECORD_TITLE: ALPHA-PHELLANDRENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: ALPHA-PHELLANDRENE
CH$NAME: 2-METHYL-5-(1-METHYLETHYL)-1,3-CYCLOHEXADIENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₆
CH$EXACT_MASS: 136.12520
CH$SMILES: CC(C)C(C1)C=CC(C)=C1
CH$IUPAC: InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3
CH$LINK: CAS 99-83-2
CH$LINK: INCHIKEY OGLDWXZKYODSOB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4047593

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0006-9000000000-d9c4d62513c800749790
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  27 7.88 79
  28 1.14 11
  29 1.73 17
  39 9.84 98
  41 9.22 92
  43 3.82 38
  50 1.24 12
  51 4.03 40
  52 1.76 18
  53 2.94 29
  55 1.09 11
  63 2.02 20
  65 6.21 62
  77 33.21 332
  78 5.42 54
  79 4.3 43
  80 1.57 16
  91 37.85 379
  92 28.21 282
  93 99.99 999
  94 8.6 86
  105 1.96 20
  121 1.48 15
  136 17.89 179
  137 1.62 16
//