MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004892
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004892
RECORD_TITLE: ETHYL 4-BENZYLOXY-3-METHYLPENTANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KATO T, DEPT. OF CHEM., FAC. OF SCI., TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: ETHYL 4-BENZYLOXY-3-METHYLPENTANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H22O3
CH$EXACT_MASS: 250.15689
CH$SMILES: CCOC(=O)CC(C)C(C)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C15H22O3/c1-4-17-15(16)10-12(2)13(3)18-11-14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3
CH$LINK: INCHIKEY
ZWWXNEVKUXNIRZ-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:13773859
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 10 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-006x-2900000000-a04ce0ab51b127be3a4f
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
72 2 20
74 3.4 34
88 81 810
89 0.64 6
91 54.9 549
92 25.9 259
97 3.5 35
98 0.11 1
100 6.2 62
101 1.7 17
104 1.3 13
105 0.17 2
107 37.2 372
112 34.8 348
113 7.1 71
116 0.2 2
119 3.4 34
120 1.5 15
121 59.3 593
122 99.99 999
123 5.5 55
126 5 50
127 53.5 535
129 0.95 10
130 1.8 18
134 10.6 106
140 0.4 4
141 3.88 39
143 75.8 758
144 21.6 216
148 2.3 23
158 1.54 15
159 17.6 176
175 3.9 39
176 3.5 35
188 0.38 4
191 4.7 47
193 63.5 635
204 2.2 22
205 0.13 1
250 2.8 28
//