MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006892
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006892
RECORD_TITLE: LIMONENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: LIMONENE
CH$NAME: P-MENTHA-1,8-DIENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H16
CH$EXACT_MASS: 136.12520
CH$SMILES: CC1=CC[C@@H](CC1)C(=C)C
CH$IUPAC: InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1
CH$LINK: INCHIKEY
XMGQYMWWDOXHJM-JTQLQIEISA-N
CH$LINK: COMPTOX
DTXSID1020778
AC$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: splash10-014l-9100000000-507f7afbc17b7c2556e2
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
27 15.02 150
28 2.85 29
29 7.8 78
38 1.46 15
39 26.52 265
40 8.01 80
41 24.01 240
42 3.24 32
43 2.09 21
50 1.84 18
51 7.21 72
52 3.17 32
53 24.1 241
54 2.03 20
55 7.74 77
63 1.88 19
65 7.46 75
66 4.29 43
67 44.62 446
68 99.99 999
69 7.69 77
77 15.9 159
78 3.29 33
79 27.53 275
80 10.7 107
81 10.5 105
82 1.69 17
91 14.64 146
92 18.07 181
93 58.42 584
94 21.11 211
95 7.23 72
105 3.56 36
106 1.09 11
107 16.48 165
108 5.13 51
121 17.64 176
122 1.51 15
136 20.42 204
137 1.98 20
//
system version 2.2.8-SNAPSHOT