MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007645
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007645
RECORD_TITLE: NORBORNANE; 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$NAME: NORBORNANE
CH$NAME: BICYCLO(2.2.1)HEPTANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H12
CH$EXACT_MASS: 96.09390
CH$SMILES: C(C1)C(C2)CC1C2
CH$IUPAC: InChI=1S/C7H12/c1-2-7-4-3-6(1)5-7/h6-7H,1-5H2
CH$LINK: CAS
279-23-2
CH$LINK: INCHIKEY
UMRZSTCPUPJPOJ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4075376
AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 15 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0159-9000000000-03a7c93f2a80d03a4823
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
31 17.72 177
32 16.04 160
45 5.54 55
46 2.46 25
54 32.65 327
55 13.86 139
56 1.23 12
66 13.02 130
67 80.54 805
68 84.65 847
69 5.44 54
81 99.99 999
82 7.02 70
95 4.63 46
96 53.19 532
97 5.09 51
//