MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005287
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005287
RECORD_TITLE: CYCLOHEXYL CHLORIDE; 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$NAME: CYCLOHEXYL CHLORIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H11Cl
CH$EXACT_MASS: 118.05493
CH$SMILES: ClC(C1)CCCC1
CH$IUPAC: InChI=1S/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2
CH$LINK: INCHIKEY
UNFUYWDGSFDHCW-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3052193
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$SPLASH: splash10-0gb9-9000000000-b1861e1c572fc3b165dd
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
15 1.19 12
26 2.49 25
27 19.73 197
28 5.7 57
29 7.56 76
38 2.12 21
39 24.24 242
40 5.07 51
41 50.09 501
42 7.25 73
43 3.68 37
49 1.45 15
50 2.59 26
51 4.45 45
52 1.97 20
53 36.8 368
54 44.63 446
55 9.86 99
62 2.75 28
65 1.76 18
66 1.71 17
67 99.99 999
68 33.05 331
69 1.96 20
118 4.4 44
120 1.3 13
//