MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008943
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008943
RECORD_TITLE: CYCLOPENTANONE (2,2,5,5-D4); 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$NAME: CYCLOPENTANONE (2,2,5,5-D4)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H8O
CH$EXACT_MASS: 84.05751
CH$SMILES: [2H]C([2H])(C1)C(=O)C([2H])([2H])C1
CH$IUPAC: InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2/i3D2,4D2
CH$LINK: INCHIKEY
BGTOWKSIORTVQH-KHORGVISSA-N
CH$LINK: COMPTOX
DTXSID90583872
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$SPLASH: splash10-0a5c-9000000000-b716805bbbc2ee7bbdd9
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
26 2.8 28
27 9.3 93
28 14.7 147
29 1.62 16
30 65.8 658
31 6.9 69
32 4.4 44
38 0.21 2
39 6.2 62
40 9.3 93
41 12.8 128
42 1.26 13
43 25.5 255
44 20.7 207
45 3.2 32
46 0.21 2
55 5.1 51
56 99.99 999
57 5.8 58
58 2.8 28
59 9.7 97
60 10.4 104
86 3 30
87 0.85 9
88 49.5 495
89 3.4 34
//