MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007567
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007567
RECORD_TITLE: BETA-PINENE; 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$NAME: BETA-PINENE
CH$NAME: 6,6-DIMETHYL-2-METHYLENEBICYCLO(3.1.1)HEPTANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H16
CH$EXACT_MASS: 136.12520
CH$SMILES: C=C(C2)C(C1)C(C)(C)C(C2)1
CH$IUPAC: InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3
CH$LINK: CAS
127-91-3
CH$LINK: INCHIKEY
WTARULDDTDQWMU-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7027049
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$SPLASH: splash10-00kf-9200000000-8e99ddecfa1da77bc2c0
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
53 6.04 60
55 12.13 121
67 23.46 235
69 70.16 702
79 39.6 396
80 33.85 339
93 99.99 999
94 36.44 364
107 19.39 194
108 8.07 81
121 34.99 350
122 4.47 45
136 24.87 249
137 3.46 35
//