MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007959
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007959
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: splash10-0a5a-9100000000-aaef648412df89346ac1
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
15 9.9 99
28 19.8 198
29 34.4 344
41 8.81 88
43 39.2 392
55 87.6 876
57 40.7 407
67 6.1 61
69 67.8 678
81 84.5 845
83 20.8 208
90 6.05 61
95 99.99 999
96 5.3 53
110 13.5 135
113 1.35 14
122 6.8 68
127 7.8 78
136 15.6 156
137 3.34 33
155 42.8 428
156 6.3 63
164 4.7 47
171 0.16 2
182 6.3 63
186 2.6 26
196 3.1 31
197 0.1 1
214 5.2 52
215 1 10
//
system version 2.2.8-SNAPSHOT