MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005245
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005245
RECORD_TITLE: METHYL 2-HYDROXYUNDEC-10-ENOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: METHYL 2-HYDROXYUNDEC-10-ENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H22O3
CH$EXACT_MASS: 214.15689
CH$SMILES: C=CCCCCCCCC(O)C(=O)OC
CH$IUPAC: InChI=1S/C12H22O3/c1-3-4-5-6-7-8-9-10-11(13)12(14)15-2/h3,11,13H,1,4-10H2,2H3
CH$LINK: INCHIKEY
FNDHOARZTUZRCW-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4m-9200000000-788ea21d535fa5a991cc
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
15 9.9 99
28 19.8 198
29 34.4 344
41 8.81 88
42 2.6 26
43 39.2 392
55 87.9 879
56 0.35 4
57 40.7 407
67 61 610
68 3.1 31
69 6.78 68
70 3.3 33
81 84.5 845
82 5.1 51
83 2.08 21
90 60.5 605
91 4.5 45
95 99.99 999
96 0.71 7
110 13.5 135
113 13.5 135
122 6.8 68
127 0.78 8
136 15.6 156
137 33.4 334
155 42.8 428
156 0.63 6
164 4.7 47
171 1.6 16
182 6.3 63
186 0.26 3
196 3.1 31
197 1 10
214 5.2 52
215 1 10
//
system version 2.2.8-SNAPSHOT