MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008216
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008216
RECORD_TITLE: BETA-CYCLOCITRAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: BETA-CYCLOCITRAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H16O
CH$EXACT_MASS: 152.12012
CH$SMILES: O=CC(=C(C)1)C(C)(C)CCC1
CH$IUPAC: InChI=1S/C10H16O/c1-8-5-4-6-10(2,3)9(8)7-11/h7H,4-6H2,1-3H3
CH$LINK: INCHIKEY
MOQGCGNUWBPGTQ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7047142
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0l0i-4900000000-f6c4a4fe93d19741cab0
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
41 9.41 94
43 12.35 124
53 6.47 65
55 11.47 115
56 3.53 35
57 3.24 32
60 1.76 18
67 45.59 456
69 5.59 56
77 3.24 32
78 2.35 24
81 32.35 324
82 3.24 32
91 6.18 62
92 2.06 21
93 20 200
95 8.24 82
98 2.65 27
105 3.24 32
107 15.29 153
108 2.94 29
109 63.53 635
110 8.53 85
119 12.06 121
121 3.53 35
123 63.82 638
124 5.88 59
137 99.99 999
138 11.76 118
152 83.24 832
//
system version 2.2.8-SNAPSHOT