MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008043
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008043
RECORD_TITLE: ACETIC ACID 2-PHENOXYETHYL ESTER; 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$NAME: ACETIC ACID 2-PHENOXYETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H12O3
CH$EXACT_MASS: 180.07864
CH$SMILES: CC(=O)OCCOc(c1)cccc1
CH$IUPAC: InChI=1S/C10H12O3/c1-9(11)12-7-8-13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
CH$LINK: INCHIKEY
WHFKYDMBUMLWDA-UHFFFAOYSA-N
AC$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 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-000l-9000000000-8b52016c477d9692e547
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
43 51 510
44 1.27 13
65 1.48 15
77 4.75 48
79 1.06 11
87 99.99 999
88 4.65 47
91 1.9 19
94 11.62 116
95 1.27 13
107 2.11 21
120 2.53 25
180 5.6 56
//