MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002604
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002604
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: 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 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0159-9000000000-e56983907183db17daf9
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
15 5.82 58
26 2.72 27
27 19.94 199
28 4.05 41
29 12.8 128
30 1.94 19
31 26.07 261
32 12.02 120
38 2.87 29
39 31.81 318
40 7.14 71
41 24.44 244
42 4.03 40
43 1.94 19
45 6.44 64
46 2.79 28
50 2.17 22
51 3.88 39
52 2.09 21
53 14.74 147
54 47.71 477
55 29.17 292
56 1.94 19
63 1.55 16
65 4.65 47
66 13.19 132
67 99.99 999
68 79.37 794
69 4.65 47
77 3.18 32
79 3.88 39
80 1.32 13
81 72.09 721
82 5.28 53
91 1.55 16
95 5.28 53
96 33.44 334
97 3.1 31
//