MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008221
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008221
RECORD_TITLE: BETA-IONONE; 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$NAME: BETA-IONONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H20O
CH$EXACT_MASS: 192.15142
CH$SMILES: CC(=O)C=CC(=C(C)1)C(C)(C)CCC1
CH$IUPAC: InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+
CH$LINK: INCHIKEY
PSQYTAPXSHCGMF-BQYQJAHWSA-N
CH$LINK: COMPTOX
DTXSID4021769
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$SPLASH: splash10-004l-4900000000-3169016f24891f9035d6
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
41 5.23 52
43 64.43 644
55 6.91 69
67 3.43 34
69 8.67 87
71 5.23 52
77 1.47 15
79 3.18 32
81 5.25 53
91 5.72 57
93 14.11 141
94 3.12 31
95 9.82 98
96 18.71 187
97 1.47 15
105 7.21 72
107 9.82 98
108 0.83 8
109 10.11 101
110 3.43 34
119 8.06 81
121 8.06 81
122 10.11 101
123 27.44 274
124 1.47 15
131 1.12 11
133 10.11 101
135 20.86 209
136 8.06 81
147 1.47 15
149 10.98 110
159 6.36 64
162 3.75 38
177 99.99 999
178 21.1 211
192 12.14 121
//