MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006950
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006950
RECORD_TITLE: CYCLOPENTANONE; 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$NAME: CYCLOPENTANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H8O
CH$EXACT_MASS: 84.05751
CH$SMILES: O=C(C1)CCC1
CH$IUPAC: InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2
CH$LINK: INCHIKEY
BGTOWKSIORTVQH-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3029154
AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0a6r-9000000000-92f1cd24f64620f953d5
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
14 1.26 13
15 2.67 27
26 14.6 146
27 35.48 355
28 54.42 544
29 9.1 91
37 1.94 19
38 4.05 41
39 25.02 250
40 3.32 33
41 45.24 452
42 19.47 195
43 3.55 36
50 3.17 32
51 2.72 27
52 1.14 11
53 3.09 31
54 1.39 14
55 99.99 999
56 30.3 303
57 1.59 16
83 1.3 13
84 39.35 394
85 2.08 21
//