MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003325
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003325
RECORD_TITLE: TETRAHYDROFURFURYL 9-OCTADECENOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
CH$NAME: TETRAHYDROFURFURYL 9-OCTADECENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C23H42O3
CH$EXACT_MASS: 366.31340
CH$SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC(C1)OCC1
CH$IUPAC: InChI=1S/C23H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23(24)26-21-22-18-17-20-25-22/h9-10,22H,2-8,11-21H2,1H3/b10-9+
CH$LINK: INCHIKEY
GIPDEPRRXIBGNF-MDZDMXLPSA-N
AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00di-9000000000-89c65d7f628beff2b926
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
53 3.3 33
54 38.5 385
55 7.5 75
56 17.9 179
67 17.6 176
68 6.5 65
69 15.3 153
70 0.62 6
71 99.99 999
72 5.6 56
79 3.9 39
80 0.23 2
81 11.4 114
82 8.2 82
83 10.4 104
84 3.84 38
85 41.9 419
95 7.8 78
96 6.8 68
97 0.62 6
98 16.7 167
100 3.3 33
109 4.2 42
110 0.36 4
111 3.3 33
112 5.8 58
123 2.9 29
137 0.33 3
144 4.3 43
152 2.6 26
157 2.6 26
264 1.22 12
265 3.7 37
366 5.9 59
367 2.6 26
//