MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007572
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007572
RECORD_TITLE: BETA-TERPINEOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAKEUCHI T, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: BETA-TERPINEOL
CH$NAME: 1-METHYL-4-ISOPROPENYLCYCLOHEXAN-1-OL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H18O
CH$EXACT_MASS: 154.13577
CH$SMILES: CC(=C)C(C1)CCC(C)(O)C1
CH$IUPAC: InChI=1S/C10H18O/c1-8(2)9-4-6-10(3,11)7-5-9/h9,11H,1,4-7H2,2-3H3
CH$LINK: INCHIKEY
RUJPNZNXGCHGID-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7041209
AC$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: splash10-05fu-9400000000-e5bdf4c18c222c532356
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
58 34.63 346
69 59.19 592
71 99.99 999
81 29.23 292
84 45.5 455
93 76.61 766
94 51.11 511
107 47.69 477
108 33.9 339
121 46.7 467
122 5.1 51
136 43.85 439
139 8.68 87
//