MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010698
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010698
RECORD_TITLE: (-)-2,6,6-TRIMETHYL-2(R)-VINYLTETRAHYDROPYRAN-5-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: EGUCHI S, FAC. OF SCIENCE, HIROSHIMA UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: (-)-2,6,6-TRIMETHYL-2(R)-VINYLTETRAHYDROPYRAN-5-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H16O2
CH$EXACT_MASS: 168.11503
CH$SMILES: C=CC(C)(C1)OC(C)(C)C(=O)C1
CH$IUPAC: InChI=1S/C10H16O2/c1-5-10(4)7-6-8(11)9(2,3)12-10/h5H,1,6-7H2,2-4H3/t10-/m0/s1
CH$LINK: INCHIKEY
ATQPZCOAQSYTPR-JTQLQIEISA-N
AC$INSTRUMENT: HITACHI RMU-6L
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: splash10-014i-9200000000-cdfb8c54f2a6bffa2c8f
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
41 26.5 265
42 9.5 95
43 34 340
44 0.15 2
51 3 30
52 4 40
53 14 140
54 0.8 8
55 13 130
56 3 30
57 2 20
58 0.15 2
59 14 140
65 43 430
66 4.5 45
67 8.9 89
68 99.99 999
69 11 110
70 10.5 105
71 0.3 3
77 2 20
79 4 40
80 2 20
81 1 10
82 28 280
83 4 40
84 1.5 15
92 0.25 3
93 2.5 25
94 1.5 15
95 9 90
96 0.15 2
97 3.5 35
107 2 20
108 1.5 15
109 0.2 2
110 76 760
111 9 90
112 1 10
123 0.2 2
124 1 10
125 2 20
126 1 10
135 0.15 2
141 4 40
142 1 10
153 4 40
154 0.15 2
168 4 40
169 1 10
//
system version 2.2.4-SNAPSHOT