MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005994
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005994
RECORD_TITLE: ETHYLCYLOPENTANE; 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$NAME: ETHYLCYLOPENTANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H14
CH$EXACT_MASS: 98.10955
CH$SMILES: CCC(C1)CCC1
CH$IUPAC: InChI=1S/C7H14/c1-2-7-5-3-4-6-7/h7H,2-6H2,1H3
CH$LINK: INCHIKEY
IFTRQJLVEBNKJK-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5075109
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$SPLASH: splash10-05tf-9000000000-ded33dd9b182a639bed0
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
15 1.2 12
17 2 20
18 9.4 94
26 0.16 2
27 20.6 206
28 4.9 49
29 16.4 164
32 0.1 1
37 0.6 6
38 1.4 14
39 26.8 268
40 0.47 5
41 76 760
42 44.7 447
43 8.3 83
50 0.15 2
51 2.5 25
52 1.3 13
53 6.3 63
54 0.64 6
55 52.2 522
56 49.2 492
57 7.8 78
63 0.09 1
65 1.7 17
66 1.1 11
67 11.5 115
68 7.99 80
69 99.99 999
70 61.4 614
71 3.3 33
77 0.07 1
79 0.7 7
81 0.7 7
82 1 10
83 0.94 9
84 0.9 9
97 1.1 11
98 33 330
99 2.8 28
//