MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004980
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004980
RECORD_TITLE: METHYL 11-HYDROXYUNDECANOATE; 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$NAME: METHYL 11-HYDROXYUNDECANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H24O3
CH$EXACT_MASS: 216.17254
CH$SMILES: OCCCCCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C12H24O3/c1-15-12(14)10-8-6-4-2-3-5-7-9-11-13/h13H,2-11H2,1H3
CH$LINK: INCHIKEY
VASIFKMMXNGAGN-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-D-3000
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 15 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00ea-9200000000-6fd37ec21507fd0579f9
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
68 3.64 36
69 7.71 77
74 99.99 999
75 36.09 361
82 19.79 198
83 8.4 84
84 42.35 424
85 4.22 42
87 38.38 384
88 2.64 26
94 3.94 39
95 5.93 59
96 22.87 229
97 9.93 99
98 61.2 612
99 5.93 59
101 8.63 86
109 3.38 34
110 6.24 62
111 5.75 58
112 19.68 197
115 4.78 48
116 3.76 38
122 6.26 63
123 5.37 54
124 15.18 152
125 6.13 61
128 4.86 49
129 9.22 92
130 3.38 34
//
system version 2.2.8-SNAPSHOT