MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003312
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003312
RECORD_TITLE: BUTYL ISODECYL PHTHALATE; 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$NAME: BUTYL ISODECYL PHTHALATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C22H34O4
CH$EXACT_MASS: 362.24571
CH$SMILES: CCCCOC(=O)c(c1)c(ccc1)C(=O)OCCCCCCCC(C)C
CH$IUPAC: InChI=1S/C22H34O4/c1-4-5-16-25-21(23)19-14-10-11-15-20(19)22(24)26-17-12-8-6-7-9-13-18(2)3/h10-11,14-15,18H,4-9,12-13,16-17H2,1-3H3
CH$LINK: COMPTOX
DTXSID70873283
CH$LINK: INCHIKEY
IOVNHINTOHPELQ-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:39180
AC$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: splash10-0002-1910000000-0a8dd234e89d099e1ea0
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
50 1.5 15
51 1.6 16
54 2.4 24
55 7.2 72
56 6.5 65
65 2.4 24
76 2.5 25
77 0.3 3
93 2.9 29
104 3 30
105 6.3 63
106 0.08 1
121 2.2 22
122 2 20
123 4.6 46
149 99.99 999
150 9.5 95
151 1.2 12
167 1 10
205 0.97 10
206 1.5 15
223 12.2 122
224 1.6 16
278 0.45 5
279 1.2 12
//
system version 2.2.8-SNAPSHOT