MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003341
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003341
RECORD_TITLE: METHYL STEARATE; 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$NAME: METHYL STEARATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H38O2
CH$EXACT_MASS: 298.28718
CH$SMILES: CCCCCCCCCCCCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C19H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h3-18H2,1-2H3
CH$LINK: INCHIKEY
HPEUJPJOZXNMSJ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2047640
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$SPLASH: splash10-00dr-9100000000-e33d3c888348ee4595da
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
54 44 440
55 8.4 84
56 31.1 311
58 7.8 78
67 6 60
69 22.6 226
71 10.5 105
74 99.99 999
75 37.6 376
81 4 40
83 12.9 129
84 0.49 5
85 5 50
87 85.3 853
88 7.7 77
95 0.33 3
97 8.9 89
98 6.7 67
101 8.2 82
111 0.38 4
115 3 30
129 8 80
143 23.9 239
157 0.33 3
185 9.9 99
213 3.1 31
241 2.7 27
255 1.26 13
267 7.8 78
269 2.4 24
270 2.4 24
298 5.8 58
299 17.8 178
300 2.6 26
//