MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003537
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003537
RECORD_TITLE: CYCLOHEXANONE OXIME; 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$NAME: CYCLOHEXANONE OXIME
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H11NO
CH$EXACT_MASS: 113.08406
CH$SMILES: ON=C(C1)CCCC1
CH$IUPAC: InChI=1S/C6H11NO/c8-7-6-4-2-1-3-5-6/h8H,1-5H2
CH$LINK: INCHIKEY
VEZUQRBDRNJBJY-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4021842
AC$INSTRUMENT: HITACHI RMU-6E
AC$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$SPLASH: splash10-0bt9-9100000000-49d69f5f4d99a71e6919
PK$NUM_PEAK: 57
PK$PEAK: m/z int. rel.int.
15 2.8 28
18 2.5 25
26 6.5 65
27 40 400
28 28.5 285
29 25 250
30 10.2 102
37 0.2 2
38 5.2 52
39 47.5 475
40 14.5 145
41 9.9 99
42 46.5 465
43 11 110
44 11 110
45 0.26 3
46 22 220
50 3.8 38
51 7.3 73
52 0.7 7
53 21 210
54 54.5 545
55 77 770
56 1 10
57 9.3 93
58 2.4 24
59 78.5 785
60 0.29 3
63 1.2 12
64 1.5 15
66 6.5 65
67 4.1 41
68 42 420
69 27 270
70 9.5 95
71 0.28 3
72 63.5 635
73 4 40
77 3.5 35
78 0.12 1
79 13 130
80 8.9 89
81 36.5 365
82 0.65 7
83 3.1 31
84 19.5 195
85 26 260
86 0.2 2
94 4.5 45
95 1.2 12
96 24 240
97 0.5 5
98 32 320
99 2 20
112 5.5 55
113 99.99 999
114 13.5 135
//