MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012246
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012246
RECORD_TITLE: ORTHO-XYLENE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: IIDA Y, DAISHIMA S, FAC. OF ENGINEERING, SEIKEI UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: ORTHO-XYLENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H10
CH$EXACT_MASS: 106.07825
CH$SMILES: Cc(c1)c(C)ccc1
CH$IUPAC: InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3
CH$LINK: CAS
95-47-6
CH$LINK: INCHIKEY
CTQNGGLPUBDAKN-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3021807
AC$INSTRUMENT: FINNIGAN-MAT 4500
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 120 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS METHANE
PK$SPLASH: splash10-0a4i-0900000000-f15325822f4f50e0f099
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
105 8.85 89
106 7.3 73
107 99.99 999
108 8.75 88
135 20.01 200
136 2.06 21
147 6.59 66
//