MassBank Record: WA000170



 1-Naphthaleneacetic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA000170
RECORD_TITLE: 1-Naphthaleneacetic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
DATE: 2016.01.19 (2007.08.01, 2011.05.06)
AUTHORS: , Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: 1-Naphthaleneacetic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H10O2 CH$EXACT_MASS: 186.06808 CH$SMILES: OC(=O)Cc(c1)c(c2)c(ccc2)cc1 CH$IUPAC: InChI=1S/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14) CH$LINK: CAS 86-87-3 CH$LINK: INCHIKEY PRPINYUDVPFIRX-UHFFFAOYSA-N
AC$INSTRUMENT: QuattroPremier XE, Waters AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]- MS$FOCUSED_ION: PRECURSOR_M/Z 184.9 MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0006-0930000000-36ad19a524de7c992492 PK$NUM_PEAK: 94 PK$PEAK: m/z int. rel.int. 100 24 24 102 63 63 104 71 71 106 51 51 107 78 78 109 74 74 110 8 8 111 86 86 114 39 39 116 90 90 117 24 24 119 59 59 121 51 51 123 71 71 124 12 12 125 74 74 127 74 74 129 63 63 131 94 94 133 82 82 135 114 114 136 35 35 138 74 74 139 51 51 141 999 999 143 59 59 144 8 8 145 74 74 148 71 71 150 74 74 151 27 27 153 67 67 154 8 8 155 74 74 157 125 125 159 67 67 160 39 39 162 102 102 163 12 12 165 90 90 166 8 8 167 74 74 168 12 12 169 86 86 170 16 16 172 67 67 174 102 102 176 82 82 178 31 31 179 94 94 181 16 16 182 63 63 184 55 55 186 114 114 187 63 63 189 31 31 190 39 39 192 94 94 194 63 63 195 39 39 197 94 94 198 16 16 200 121 121 201 16 16 202 51 51 204 63 63 206 43 43 208 82 82 209 47 47 211 67 67 213 94 94 214 35 35 216 86 86 217 43 43 219 67 67 221 43 43 222 8 8 223 94 94 225 63 63 226 8 8 227 67 67 229 74 74 231 90 90 233 114 114 235 47 47 236 20 20 238 59 59 239 31 31 241 82 82 243 67 67 245 39 39 246 86 86 248 82 82 250 20 20 //