MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006593
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006593
RECORD_TITLE: ALPHA-PINENE OXIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: ALPHA-PINENE OXIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H16O
CH$EXACT_MASS: 152.12012
CH$SMILES: CC(C)(C23)C(C3)C(C)(O1)C(C2)1
CH$IUPAC: InChI=1S/C10H16O/c1-9(2)6-4-7(9)10(3)8(5-6)11-10/h6-8H,4-5H2,1-3H3
CH$LINK: INCHIKEY
NQFUSWIGRKFAHK-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5051781
AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-05no-9100000000-b3f5d40881aacbcfaa8f
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
15 3.65 37
26 1.25 13
27 28.07 281
29 12.38 124
38 1.55 16
39 42.31 423
40 5.74 57
41 64.97 650
42 5.65 57
43 55.69 557
44 1.99 20
45 1.75 18
50 1.62 16
51 6.88 69
52 2.59 26
53 21.53 215
54 11.98 120
55 31.42 314
56 2.98 30
57 1.32 13
63 1.5 15
65 7.76 78
66 2.55 26
67 99.99 999
68 7.03 70
69 25.81 258
70 2.44 24
71 1.75 18
77 11.26 113
78 1.82 18
79 14.25 143
80 2.07 21
81 24.72 247
82 31.51 315
83 42.65 427
84 7.35 74
91 10.42 104
92 1.62 16
93 17.77 178
94 10.82 108
95 21.24 212
96 8.07 81
97 2.52 25
98 1.86 19
105 1.26 13
107 3.84 38
108 10.19 102
109 50.11 501
110 7.1 71
111 3.61 36
119 6.14 61
123 2.06 21
137 28.24 282
138 2.07 21
//