MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009340
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009340
RECORD_TITLE: (10-METHYL-9-ANTHRYL)METHYL PIVALATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: (10-METHYL-9-ANTHRYL)METHYL PIVALATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C21H22O2
CH$EXACT_MASS: 306.16198
CH$SMILES: O=C(OCc(c21)c(c3)c(ccc3)c(C)c(cccc2)1)C(C)(C)C
CH$IUPAC: InChI=1S/C21H22O2/c1-14-15-9-5-7-11-17(15)19(13-23-20(22)21(2,3)4)18-12-8-6-10-16(14)18/h5-12H,13H2,1-4H3
CH$LINK: INCHIKEY
DJMFMJYBGUQQCQ-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0pb9-2291000000-cae08c3f3d8d3ca36809
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
39 8.1 81
40 1.7 17
41 23.8 238
42 0.23 2
43 1.2 12
44 2.9 29
50 1.7 17
51 0.23 2
53 1.2 12
55 4.1 41
56 8.1 81
57 2.36 24
58 1.2 12
63 1.7 17
75 1.7 17
76 0.41 4
77 1.7 17
87 1.7 17
88 5.2 52
89 0.55 6
95 1.2 12
100 3.5 35
101 12.2 122
102 0.41 4
103 1.2 12
127 2.3 23
128 1.2 12
150 0.12 1
151 1.7 17
152 1.7 17
163 1.2 12
165 0.35 4
174 1.2 12
175 1.2 12
176 3.5 35
177 0.17 2
178 7 70
179 1.7 17
187 1.2 12
189 0.73 7
190 4.1 41
191 8.1 81
192 2.9 29
193 0.23 2
200 4.1 41
201 5.2 52
202 25 250
203 2.44 24
204 57 570
205 99.99 999
206 19.8 198
207 0.23 2
248 1.2 12
292 1.2 12
306 30.8 308
307 10 100
//
system version 2.2.6-SNAPSHOT