ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007397
RECORD_TITLE: ALPHA-PHELLANDRENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
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$LINK: COMPTOX DTXSID4047593
CH$LINK: INCHIKEY OGLDWXZKYODSOB-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:7460

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 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0006-9100000000-1b3159e0f54dba088cd6
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  41 1.03 10
  43 1.95 20
  77 15.53 155
  78 1.61 16
  79 2.95 30
  80 1.54 15
  91 23.83 238
  92 30.22 302
  93 99.99 999
  94 8.22 82
  105 1.2 12
  121 2.47 25
  136 31.62 316
  137 3.4 34
//