MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006005
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006005
RECORD_TITLE: CARANE; 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$NAME: CARANE
CH$NAME: 3,7,7-TRIMETHYLBICYCLO(4.1.0)HEPTANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H18
CH$EXACT_MASS: 138.14085
CH$SMILES: CC(C2)CC(C(C2)1)C(C)(C)1
CH$IUPAC: InChI=1S/C10H18/c1-7-4-5-8-9(6-7)10(8,2)3/h7-9H,4-6H2,1-3H3
CH$LINK: INCHIKEY
BWRHOYDPVJPXMF-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID10858852
AC$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: splash10-0002-9000000000-c2006a2faf62b048e39a
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
41 4.5 45
54 1.5 15
55 11.61 116
56 1.64 16
57 3.24 32
69 10.53 105
70 1.56 16
82 26.12 261
83 5.07 51
93 2.47 25
94 9.33 93
95 99.99 999
96 17.23 172
97 1.44 14
110 1.66 17
124 2.72 27
139 3.2 32
//