MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006408
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006408
RECORD_TITLE: TRANS-L-CARVYL BUTYRATE; 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$NAME: TRANS-L-CARVYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H22O2
CH$EXACT_MASS: 222.16198
CH$SMILES: CCCC(=O)OC(C1)C(C)=CCC(C(C)=C)1
CH$IUPAC: InChI=1S/C14H22O2/c1-5-6-14(15)16-13-9-12(10(2)3)8-7-11(13)4/h7,12-13H,2,5-6,8-9H2,1,3-4H3/t12-,13+/m1/s1
CH$LINK: INCHIKEY
NFYWZJFDZXGDJZ-OLZOCXBDSA-N
AC$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: splash10-0006-9600000000-453ce46380b28b2a3038
PK$NUM_PEAK: 67
PK$PEAK: m/z int. rel.int.
27 19.08 191
28 1.05 11
29 10.03 100
39 18.63 186
40 2.96 30
41 41.07 411
42 4.07 41
43 79.46 795
44 2.44 24
45 1.06 11
51 3.31 33
52 1.77 18
53 12.81 128
54 2.52 25
55 18.13 181
56 1.41 14
63 1.07 11
65 6.57 66
66 2.41 24
67 8.27 83
68 3.72 37
69 3.47 35
71 99.99 999
72 4.15 42
77 19.84 198
78 6.5 65
79 19.41 194
80 7.5 75
81 6.88 69
82 3.53 35
83 3.06 31
84 10.21 102
89 1.31 13
91 34.39 344
92 27.23 272
93 36.22 362
94 5.67 57
95 3.15 32
96 5.3 53
97 2.26 23
103 2.07 21
104 1.33 13
105 24.57 246
106 12.07 121
107 19.39 194
108 11.7 117
109 70.57 706
110 6.52 65
115 1.69 17
117 3.22 32
119 77.71 777
120 8.49 85
121 1.24 12
123 2.59 26
124 1.88 19
133 3.46 35
134 31.28 313
135 8.99 90
137 4.23 42
151 1.15 12
152 82.22 822
153 10.86 109
154 1.57 16
178 1.64 16
179 10.96 110
180 1.1 11
222 2.36 24
//