MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005400
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005400
RECORD_TITLE: CYCLOPENTANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: CYCLOPENTANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H10O
CH$EXACT_MASS: 86.07316
CH$SMILES: OC(C1)CCC1
CH$IUPAC: InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2
CH$LINK: INCHIKEY
XCIXKGXIYUWCLL-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1033371
AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0a4i-9000000000-21ac54e00a0f56585859
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
15 2.63 26
26 3.37 34
27 14.16 142
28 7.42 74
29 17.73 177
30 5.46 55
31 6.2 62
32 2.23 22
38 2.36 24
39 14.77 148
40 5.6 56
41 19.69 197
42 7.62 76
43 13.62 136
44 38.98 390
45 13.49 135
46 1.28 13
50 1.01 10
51 1.01 10
53 2.7 27
55 4.11 41
56 2.63 26
57 99.99 999
58 51.31 513
59 4.79 48
67 7.28 73
68 6.74 67
69 2.09 21
71 2.83 28
72 1.28 13
86 7.35 74
87 3.84 38
//